data_2gt3_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 2gt3 _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 ' 22' ' ' MET . . . . . . . . . . . . . 10.4 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.69 29.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -112.28 127.78 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 152.53 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -74.81 -39.92 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -133.05 168.61 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.0 t-80 -64.6 169.06 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 188' ' ' GLN . . . -72.58 -64.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 191' ' ' HIS . 9.9 t -91.13 -49.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.36 -27.62 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.21 25.76 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' ASN . 2.8 m170 -100.46 -171.82 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.43 121.16 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -48.59 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.1 p -98.16 -49.64 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -51.44 127.04 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.47 133.54 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.44 36.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.39 119.38 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.0 31.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 100' ' ' TYR . 23.0 tpp -88.91 144.58 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.744 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.46 164.32 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -110.77 155.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.565 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -142.34 129.74 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.8 mp -111.03 124.99 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 25.3 m-85 -145.69 143.5 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.74 113.65 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 mmm -126.16 18.85 7.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.24 -136.83 13.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -41.5 110.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 39.0 p90 -82.41 -2.65 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 47.5 m0 -70.7 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.78 -44.19 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 79.8 t -51.88 -57.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 6.3 tt0 -56.07 -40.89 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -53.86 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -55.42 -48.13 74.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 5.0 m-85 -60.63 -32.19 71.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CD1' ' NE2' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -75.13 -39.87 60.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -72.75 -3.8 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -82.28 142.26 47.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.71 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.45 -15.47 10.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.11 114.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.28 -52.97 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -148.66 158.97 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.5 p -136.77 160.01 40.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -139.87 157.48 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.42 141.55 49.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 179' ' ' PHE . . . -175.78 -159.31 21.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.98 151.92 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.85 171.2 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.71 -16.18 59.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.16 -171.9 47.77 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -113.99 -31.94 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -58.43 120.17 42.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.85 15.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 9.9 m120 52.4 63.97 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.541 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 169.04 23.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.429 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 78.2 m -122.19 152.54 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -50.52 -46.93 57.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.0 -39.01 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.0 mt-10 -68.1 -49.4 61.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.6 t -60.85 -36.39 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -37.73 72.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -48.73 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.12 19.4 21.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.6 17.16 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 62.0 p -113.58 -29.03 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.23 3.78 86.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.5 m-70 -84.18 143.84 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.63 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.38 166.68 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -69.8 116.58 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.31 151.4 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.65 141.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -94.75 116.54 28.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ALA . 3.2 mp -108.23 132.02 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 t -110.74 114.0 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 110' ' ' LEU . 4.7 p90 -134.29 165.92 24.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' SD ' ' A' ' 42' ' ' MET . 0.8 OUTLIER -99.35 137.66 20.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.5 21.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -17.56 30.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.98 -65.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.4 tt -109.75 157.1 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 p -117.26 144.52 44.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.4 p90 -49.85 -33.62 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -60.45 -42.84 96.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -64.73 -48.91 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 17.1 mt -55.28 -52.5 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 9.9 mt -54.77 -45.83 74.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 116' ' ' GLU . 9.1 tt0 -58.71 -46.37 87.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 117' ' ' ASN . 39.5 t -55.49 -42.62 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.808 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 4.3 m-30 -61.64 -33.78 74.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 16.4 m95 -86.23 -19.91 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' GLN . 1.1 tt0 -93.69 -9.06 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.5 ' OD1' ' CD2' ' A' ' 58' ' ' LEU . 2.5 m-80 -113.88 -35.91 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -135.0 168.06 19.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.63 144.01 28.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.03 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.61 50.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -93.79 12.91 24.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.79 -149.72 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.067 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.02 44.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.412 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -154.62 151.04 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.418 ' NE2' ' H ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -139.69 115.97 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.17 -117.44 10.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.13 24.92 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 2.6 m-20 -115.05 146.13 41.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -119.9 142.8 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 149.52 5.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 m -76.75 0.24 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -95.21 -0.24 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 19.8 m-85 -110.06 40.1 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -164.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -139.72 123.57 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.78 161.83 41.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.417 HD12 ' CH2' ' A' ' 115' ' ' TRP . 9.1 mt -130.34 138.93 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 177' ' ' THR . 62.3 m-85 -134.15 87.25 34.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.61 9.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.93 -31.87 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -109.6 167.46 9.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -32.32 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.53 -41.71 62.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -62.97 -44.41 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.03 87.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.68 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.04 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -64.07 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.449 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 20.6 p -59.0 -37.28 76.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.415 HD12 ' CG2' ' A' ' 171' ' ' THR . 6.1 tt -61.82 -50.47 72.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.54 -36.66 69.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.39 83.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 1.1 t80 -64.58 -35.58 81.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.423 ' O ' ' CD2' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -52.64 -41.88 64.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.71 -35.47 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.17 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.24 -49.59 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 157' ' ' GLN . 2.2 mm? -52.53 -38.1 59.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.22 71.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.69 24.2 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.4 t0 47.7 31.98 2.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.21 99.54 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.39 10.17 18.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.9 159.16 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -98.5 122.86 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.56 124.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 5.7 t -100.62 -20.51 15.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.415 ' CG2' HD12 ' A' ' 153' ' ' LEU . 1.1 m -55.76 132.7 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.14 126.78 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.446 ' CG2' ' OD2' ' A' ' 146' ' ' ASP . 2.3 mp -103.89 132.48 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.41 162.76 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -52.11 140.23 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.04 128.85 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 139' ' ' TYR . 2.5 p -101.27 167.4 10.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.99 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -115.62 124.94 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.452 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 23.4 m-85 -59.69 139.71 57.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.3 169.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.16 158.87 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -37.62 87.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.62 -36.8 69.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -83.18 -36.19 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.566 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.49 118.3 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.528 ' HB3' ' CG ' ' A' ' 191' ' ' HIS . 10.0 mp0 52.92 53.05 12.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 10.7 t80 -68.85 -49.87 54.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -14.01 42.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 188' ' ' GLN . 22.6 m80 -82.36 -31.03 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -76.63 -40.97 47.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.4 116.28 41.75 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.11 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.05 18.49 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.3 -164.99 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.444 0.164 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.56 32.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.01 147.93 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 154.22 38.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 -43.96 80.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -123.86 169.38 11.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.46 ' ND1' ' N ' ' A' ' 29' ' ' ALA . 59.1 t-80 -64.17 168.53 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 191' ' ' HIS . . . -72.32 -64.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 22.1 t -90.21 -48.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -32.89 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.13 17.96 8.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -100.57 168.61 9.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.542 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 79.1 p -50.3 119.95 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.917 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -53.88 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -73.83 -54.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.47 136.73 44.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.247 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.52 134.85 25.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.08 140.16 24.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.82 127.32 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.1 -21.73 24.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 ttm -88.63 164.56 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.07 165.12 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.229 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.33 153.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.3 126.26 16.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.178 . . . . 0.0 109.357 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 mt -95.59 125.02 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -136.3 147.27 47.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.3 121.57 24.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.588 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 12.9 mtp -141.6 39.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 -123.4 9.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 3.9 p -44.68 109.99 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 38.7 p90 -85.03 -2.79 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.68 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 52.4 m0 -70.04 -60.29 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.31 -44.75 16.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 72.3 t -51.91 -42.57 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 30.2 tt0 -67.78 -49.12 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -55.8 -52.04 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -34.93 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 55' ' ' VAL . 2.6 m-85 -76.56 -41.57 45.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.42 ' N ' HG21 ' A' ' 68' ' ' THR . 0.0 OUTLIER -66.76 -47.29 72.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -73.35 -3.47 27.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -69.55 138.15 88.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.26 3.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.58 17.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.94 118.25 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.2 t80 -71.55 -43.89 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.92 162.31 18.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 60' ' ' TRP . 46.4 p -129.86 169.37 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.9 159.63 44.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.8 141.52 47.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.224 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.73 177.96 44.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 180' ' ' TYR . 1.1 p90 -122.54 148.08 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 0.725 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 t -170.33 171.86 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.63 -6.03 51.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 92' ' ' HIS . . . -111.19 -172.85 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -109.02 -31.95 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 0.807 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 3.0 m -50.36 116.95 7.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.01 138.63 23.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.462 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 78.9 m-20 39.96 61.83 5.98 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.0 170.71 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -124.53 165.31 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -54.14 -33.64 58.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.38 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.85 -50.82 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' HA ' ' CG2' ' A' ' 90' ' ' THR . 39.1 t -59.77 -42.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -36.86 50.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 108.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -49.64 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.34 8.0 57.84 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.446 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.6 20.77 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -106.91 -35.25 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.407 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.401 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 91.66 -6.39 79.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 80.8 m-70 -85.62 144.02 28.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.657 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.33 167.86 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -74.41 115.7 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.76 19.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.47 135.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.52 128.18 34.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.27 127.38 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' TYR . 5.9 t -112.87 114.88 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -137.6 165.16 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.594 1.184 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.66 138.66 19.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.71 19.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t -89.29 -24.5 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.12 -59.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 tt -118.89 163.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -122.53 162.91 20.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 24.7 p90 -62.18 -35.59 79.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.603 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 tp10 -61.18 -46.58 89.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.17 -41.27 92.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.56 -45.87 92.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 138' ' ' ILE . 34.7 mt -58.39 -41.25 84.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -46.12 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -56.52 -39.08 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.588 ' CZ ' ' CG ' ' A' ' 49' ' ' MET . 3.1 t80 -57.55 -52.71 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 120' ' ' PRO . 3.5 m95 -67.67 -22.39 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.05 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -92.48 -2.08 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 113' ' ' VAL . 10.7 t-20 -102.95 -35.5 8.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -169.55 169.82 8.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 109.564 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 121' ' ' ALA . 1.1 p-10 -97.4 124.03 50.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -74.97 24.44 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -126.06 50.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 19.34 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.55 -148.88 15.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.12 50.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.413 0.714 . . . . 0.0 110.967 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -155.06 155.88 34.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -147.17 125.71 12.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.442 ' N ' ' OE1' ' A' ' 126' ' ' GLN . . . 65.6 -121.89 21.18 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -111.17 21.55 16.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 0.738 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 16.1 m-20 -113.8 144.3 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -118.45 137.32 53.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.76 148.4 5.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.7 m -71.11 -5.48 31.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.84 -4.73 54.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 21.2 m-85 -102.91 38.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.065 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.2 mtm105 -88.54 177.49 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 p -126.44 137.0 53.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.84 147.73 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.444 HD13 ' CH2' ' A' ' 115' ' ' TRP . 53.2 mt -110.15 136.71 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.484 ' CE1' HG23 ' A' ' 177' ' ' THR . 12.1 m-85 -131.08 84.69 56.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.88 15.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.18 -22.48 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 p -115.48 163.58 20.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.44 6.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.57 -30.76 70.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -74.42 -39.29 62.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.499 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -63.6 -51.59 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.5 87.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.93 -53.27 60.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -60.27 -45.3 93.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.7 89.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.8 p -63.69 -39.5 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.99 -51.93 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.08 -35.08 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -32.45 63.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 41.1 t80 -74.86 -32.71 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -39.46 59.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.07 -34.21 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.17 25.31 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptt? -59.58 -33.76 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.66 -38.37 72.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.83 65.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.67 -5.05 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.2 t70 79.69 25.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.71 109.1 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -2.08 56.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.13 98.71 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.62 146.46 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 171' ' ' THR . 95.0 mt -55.33 136.25 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -109.34 -39.49 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.449 HG21 ' CG2' ' A' ' 169' ' ' ILE . 5.4 t -40.49 149.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.64 152.44 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.499 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 6.5 mt -114.77 133.41 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.98 162.63 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.217 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.09 141.93 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -46.33 128.8 10.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.484 HG23 ' CE1' ' A' ' 139' ' ' TYR . 2.1 p -106.78 163.33 17.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.64 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.8 p90 -98.15 147.51 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.468 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -109.29 142.99 39.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.89 145.1 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.6 166.89 13.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.57 158.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -39.64 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 67.0 m-70 -77.92 -36.21 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.54 114.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.428 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 5.0 mm-40 53.05 54.54 10.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.573 ' CE1' ' OD1' ' A' ' 193' ' ' ASN . 31.4 t80 -63.92 -46.56 84.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -14.58 38.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.84 -45.35 36.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.573 ' OD1' ' CE1' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -137.19 102.68 8.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.01 11.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -98.38 7.74 45.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -68.23 -155.94 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.461 0.172 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.91 19.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -101.52 129.88 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.23 166.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 m -78.7 -42.29 28.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -128.77 -176.85 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.3 t-80 -71.86 168.26 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.5 -65.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.8 t -90.54 -46.86 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -59.04 -31.79 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.07 17.95 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 34' ' ' SER . 1.2 t60 -100.17 170.07 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.547 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 3.1 m -52.39 119.95 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 mtp -79.85 -54.64 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -74.92 -55.04 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.14 128.41 35.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.8 t -119.2 136.03 24.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 141.37 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.03 136.97 58.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.08 -5.07 52.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.0 mtt -116.41 162.25 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.34 166.9 22.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mt -107.14 150.8 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.59 124.6 25.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.64 126.38 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CD1' ' CE2' ' A' ' 114' ' ' PHE . 25.4 m-85 -136.71 146.98 46.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.83 110.01 13.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 2.3 mtp -131.29 39.57 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.29 -129.98 18.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 26.5 p -43.53 109.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -83.41 0.3 46.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -73.18 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.8 -31.62 55.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 74.6 t -67.26 -48.4 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.9 tt0 -56.0 -56.7 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.16 -24.19 66.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' CD1' ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -63.52 -44.65 93.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.46 -34.78 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.85 75.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -64.72 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.2 135.67 93.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 125.62 -13.97 7.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.2 t -88.45 111.27 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -70.15 -45.63 66.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.603 1.189 . . . . 0.0 110.99 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -169.69 154.8 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.07 161.94 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.39 140.66 27.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.4 143.72 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.93 -170.25 26.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 180' ' ' TYR . 2.1 p90 -137.23 146.15 44.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -170.19 164.46 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 2.16 34.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.556 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -103.59 -164.67 25.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.592 0.819 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -117.99 -34.15 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 35.5 m -57.05 123.76 61.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.77 20.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.6 m-20 45.9 63.64 9.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.0 164.83 32.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.819 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.435 HG21 ' CG ' ' A' ' 84' ' ' GLU . 5.7 t -124.83 159.18 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -50.05 -46.02 52.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.435 ' CG ' HG21 ' A' ' 81' ' ' THR . 44.4 mt-10 -65.92 -46.29 78.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.08 -42.96 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.7 t -54.32 -40.91 68.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -50.01 75.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.92 6.34 56.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.43 21.1 7.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -110.97 -24.51 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.75 68.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 88.7 m-70 -82.86 139.4 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.87 161.16 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.62 114.49 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 160.23 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -138.08 133.12 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -90.15 114.56 26.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 98' ' ' ILE . 3.5 mp -99.83 131.58 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' TYR . 6.1 t -109.74 114.53 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 105' ' ' ILE . 11.2 p90 -135.27 165.27 25.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.83 137.2 19.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -16.86 28.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.8 -62.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 100' ' ' TYR . 18.8 tt -112.76 163.9 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -125.28 159.53 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -56.82 -33.7 66.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.7 tt0 -64.1 -40.79 96.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.53 -37.66 84.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -74.98 -34.57 62.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -75.48 -33.77 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.215 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.81 -55.26 15.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 114' ' ' PHE . 6.6 p -57.39 -34.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.606 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 22.3 t80 -51.8 -51.54 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.663 ' CZ2' ' CD2' ' A' ' 111' ' ' LEU . 6.2 m0 -59.48 -31.72 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -93.03 7.64 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.442 ' ND2' ' CD1' ' A' ' 58' ' ' LEU . 24.6 m120 -112.4 -49.75 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 49' ' ' MET . 7.7 m80 -138.59 167.07 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.79 135.87 19.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.98 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.453 ' CB ' ' HE3' ' A' ' 160' ' ' MET . . . -124.55 49.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -11.25 18.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 125' ' ' ARG . . . 71.75 -175.93 40.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.27 59.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' GLY . 4.4 ptp180 -179.8 152.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -142.07 137.94 31.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.01 -128.55 26.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -93.92 16.2 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.352 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.36 128.13 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -120.02 131.23 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.636 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.61 157.08 9.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.065 . . . . 0.0 111.009 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 m -76.21 -0.53 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.603 0.825 . . . . 0.0 110.42 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -95.99 -5.86 40.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -108.35 44.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 136' ' ' SER . 73.2 ttt180 -92.76 166.0 12.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 135' ' ' ARG . 12.4 t -104.45 125.41 50.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.85 146.52 20.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 79.5 mt -112.72 133.25 59.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -125.06 84.38 59.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -113.52 -28.0 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.6 p -103.02 161.26 23.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.74 6.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.67 -31.58 68.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.12 -39.14 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -46.89 87.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -61.61 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -67.16 -44.54 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.09 -54.25 49.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.22 -37.78 86.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -54.83 -40.76 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.554 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 p -78.68 -36.43 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 171' ' ' THR . 5.2 tt -60.64 -51.95 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.6 -33.73 74.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.57 61.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -51.68 -37.39 50.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -53.5 -49.8 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.33 -38.98 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.53 -56.77 11.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' A' ' 121' ' ' ALA . 14.2 ptm -64.0 -34.72 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -48.39 76.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.58 -21.95 61.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -81.0 2.86 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.8 t70 81.47 8.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.97 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.23 11.15 19.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 159.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -98.68 122.29 41.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.11 114.76 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 81.7 p -95.08 10.42 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 153' ' ' LEU . 5.9 t -87.58 141.05 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.06 149.18 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.46 129.85 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.41 160.12 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -58.89 146.38 37.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.15 116.68 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.424 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.6 OUTLIER -101.72 178.35 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.07 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 4.4 p90 -65.27 150.69 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.659 ' CB ' ' CE1' ' A' ' 72' ' ' TYR . 39.8 m-85 -109.21 124.6 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.425 ' HA ' ' NH2' ' A' ' 97' ' ' ARG . 15.5 m-85 -64.57 131.58 47.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.29 170.04 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.511 ' OE2' ' CD2' ' A' ' 186' ' ' HIS . 6.0 pt-20 -65.0 161.14 19.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.206 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -31.94 73.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -25.61 59.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.511 ' CD2' ' OE2' ' A' ' 183' ' ' GLU . 56.4 m-70 -99.91 -48.7 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -54.08 133.1 43.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 42.51 48.65 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.556 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.0 t80 -64.42 -50.26 68.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -28.48 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -36.45 60.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -66.07 -31.27 72.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.13 103.08 14.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.4 21.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.425 1.75 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.63 7.28 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.88 -158.21 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.5 0.191 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 147.66 33.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.41 128.71 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 152.08 17.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.6 m -75.35 -40.62 58.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.46 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -125.66 168.15 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 60.4 t-80 -72.23 164.66 25.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.584 1.177 . . . . 0.0 109.646 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -73.64 -65.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 38.8 t -86.46 -51.1 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.576 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.465 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -56.21 -34.92 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 65.03 6.28 24.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' HIS . 39.5 m170 -101.44 159.03 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 p -64.79 118.83 9.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -28.75 35.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 p -74.84 -45.8 40.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 133.17 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.22 113.88 29.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.47 32.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 127.69 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 100.49 -20.47 48.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.7 tpp -79.95 143.46 34.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.42 167.42 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG21 ' NE ' ' A' ' 97' ' ' ARG . 3.9 mt -117.39 155.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -143.23 125.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.4 mt -102.63 124.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -131.57 146.63 52.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.66 110.0 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -132.76 16.59 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 87.92 -124.83 7.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -41.89 109.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 40.1 p90 -84.57 -2.18 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 46.8 m0 -70.02 -59.94 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.14 -44.55 17.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 79.0 t -52.3 -57.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 96' ' ' VAL . 30.6 tt0 -61.83 -35.2 77.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.71 -55.26 18.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -59.03 -33.18 70.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -63.34 -55.86 21.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.604 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.29 -14.72 63.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.027 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.31 -0.12 48.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -96.47 143.21 25.72 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 109.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.33 -8.99 5.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.609 1.193 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.17 121.85 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -80.05 -46.98 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -160.64 160.67 31.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -139.83 158.59 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -151.81 152.66 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.4 149.95 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.83 -173.8 37.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -126.73 146.78 50.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -167.86 163.91 14.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.32 -5.86 38.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -117.53 165.11 12.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -86.03 -33.0 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.9 m -49.89 116.77 6.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.0 23.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.3 m120 45.83 64.1 8.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.449 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.9 154.43 43.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.7 m -118.33 160.41 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.26 -45.36 65.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -46.07 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.47 -49.01 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.49 ' HA ' ' CG2' ' A' ' 90' ' ' THR . 90.4 t -57.96 -36.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -32.0 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -49.25 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.51 10.07 58.37 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.61 17.88 19.39 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.59 0.818 . . . . 0.0 109.367 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.49 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -105.55 -35.57 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.05 -3.54 84.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.58 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 47.5 m-70 -83.39 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.86 173.83 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -83.6 114.82 21.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.57 164.0 23.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 56' ' ' GLU . 82.0 t -142.04 135.98 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -89.74 130.91 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.566 HD11 ' CE2' ' A' ' 59' ' ' PHE . 2.7 mp -126.96 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.94 114.63 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 110' ' ' LEU . 14.4 p90 -134.42 165.07 26.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.63 136.13 19.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.02 -13.17 21.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 -10.44 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.75 -56.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.414 HG22 ' CD1' ' A' ' 100' ' ' TYR . 17.9 tt -117.93 163.34 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.3 p -117.85 155.95 29.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 30.5 p90 -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 9.4 tt0 -58.72 -41.14 85.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.55 -51.56 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.9 mt -57.03 -39.62 75.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 7.0 mt -71.22 -33.53 69.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.58 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -58.88 -55.39 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -55.53 -35.86 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 7.5 t80 -48.85 -56.87 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.58 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.83 -21.2 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 3.87 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 113' ' ' VAL . 26.4 m120 -130.55 -47.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' PHE . 2.1 t-160 -138.71 146.53 41.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 141.23 31.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.93 8.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.67 48.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -96.0 4.92 52.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.462 ' CA ' HG23 ' A' ' 170' ' ' THR . . . 62.25 -179.36 4.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 62.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 179.91 157.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -149.16 142.56 25.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.21 -120.75 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 14.81 23.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 22.9 m-20 -110.59 137.91 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -120.14 143.42 48.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.603 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.1 166.35 14.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.8 p -80.38 0.28 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.4 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -93.62 -27.09 16.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 40.1 m-85 -97.73 62.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -119.27 -173.4 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 131.46 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.91 142.45 13.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 96.1 mt -117.76 125.7 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.567 1.167 . . . . 0.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -115.51 86.79 15.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 22.2 mt -112.27 -32.28 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.0 p -105.07 164.03 15.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.17 9.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.93 -32.25 67.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.28 -38.07 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -63.28 -50.93 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.83 77.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.27 74.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.89 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.95 69.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 4.2 p -69.55 -40.65 76.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.39 1.056 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.23 -47.1 85.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.88 -40.82 75.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -69.06 -33.87 74.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.235 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 152' ' ' SER . 38.7 t80 -67.14 -39.06 86.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.41 ' CG ' HD12 ' A' ' 169' ' ' ILE . 34.9 tt0 -51.78 -39.8 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.51 35.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.55 19.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -60.2 -34.05 73.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -41.55 99.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.69 65.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.02 46.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.02 30.45 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.69 111.02 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 19.13 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 147.32 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -87.3 140.13 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.41 HD12 ' CG ' ' A' ' 157' ' ' GLN . 60.0 mt -76.44 107.61 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' THR . . . . . 0.462 HG23 ' CA ' ' A' ' 123' ' ' GLY . 5.5 t -93.11 -19.22 21.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.9 t -57.29 146.65 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 135' ' ' ARG . 0.3 OUTLIER -138.59 138.67 38.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.4 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 3.6 mt -117.11 129.2 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -150.44 157.3 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -48.71 147.04 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -58.5 120.59 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.7 p -93.41 163.04 26.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 97' ' ' ARG . 19.5 p90 -85.86 149.41 25.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.77 134.61 49.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.059 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -65.55 141.95 58.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.34 167.83 13.19 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.86 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.58 -36.19 80.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.09 -30.69 60.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 91.0 m-70 -91.73 -39.95 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 119.23 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 28' ' ' HIS . 1.2 mt-30 53.43 50.52 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.576 ' CD1' ' CD2' ' A' ' 53' ' ' TRP . 57.8 t80 -65.24 -51.23 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -28.25 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.524 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.37 -36.99 71.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.589 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 189' ' ' TYR . 3.5 tttp -78.33 -36.35 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.547 ' ND2' ' CD1' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -119.78 102.0 47.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -17.98 19.38 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . 0.444 ' O ' ' CD2' ' A' ' 195' ' ' TYR . 2.1 p90 -102.66 19.24 19.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.59 -169.87 41.32 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.495 0.188 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.79 42.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.63 150.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.231 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 157.55 33.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -89.74 -33.18 16.67 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -129.02 157.96 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.86 168.74 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.572 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.496 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -71.57 -64.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.41 -47.68 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.1 t30 -58.37 -32.81 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 56.67 16.37 16.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -99.7 162.97 12.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 0.715 . . . . 0.0 109.586 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 m -60.73 120.22 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -42.93 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -66.12 -50.91 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.79 125.47 27.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.37 136.1 19.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 150.21 38.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.57 139.28 55.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.98 -15.84 59.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.585 1.178 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.91 162.21 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.94 165.43 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mt -109.87 147.34 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -131.62 125.07 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.483 HG23 ' CG ' ' A' ' 139' ' ' TYR . 3.5 mt -104.16 132.03 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 65.4 m-85 -150.42 140.71 22.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -110.8 109.7 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.9 13.9 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.47 -129.56 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.5 p -42.44 109.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CB ' ' CG1' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -80.7 -4.73 55.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.78 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 18.0 m0 -71.72 -53.61 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.045 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.61 -42.35 17.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.5 -58.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.3 pt-20 -54.37 -44.99 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -62.65 -54.8 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -36.73 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 5.3 m-85 -80.3 -34.5 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.553 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -63.59 -53.65 48.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -68.55 -7.82 35.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 HD11 ' CG1' ' A' ' 113' ' ' VAL . 5.3 tt -68.44 137.75 91.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 123.11 -13.77 8.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.26 123.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.445 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.46 -52.65 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -155.68 160.81 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -137.42 168.57 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.41 159.54 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -109.34 135.94 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.26 -164.73 15.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.557 1.161 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.71 147.39 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.422 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.1 t -170.07 163.02 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.34 -12.98 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -98.64 -167.72 31.02 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -109.81 -36.14 5.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 63.8 m -55.24 115.1 8.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.32 16.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.58 ' OD1' ' CE1' ' A' ' 180' ' ' TYR . 8.9 m-20 60.36 62.24 3.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.02 169.74 21.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -122.81 150.51 42.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.95 -34.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -57.04 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 54.3 mt-10 -56.89 -49.8 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.9 -46.58 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.8 t -49.77 -42.61 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -68.86 -38.87 80.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.6 25.66 24.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 14.18 31.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 80.5 p -112.19 -25.15 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.68 -10.96 65.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 49.9 m-70 -78.26 146.8 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.558 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.07 175.16 6.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -70.45 121.47 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.0 152.82 42.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.205 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 5.1 m -140.39 147.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.457 ' N ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -101.57 115.81 31.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.593 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 2.9 mp -108.96 129.57 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -105.27 114.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.414 ' CG ' HD11 ' A' ' 110' ' ' LEU . 19.0 p90 -130.81 165.13 23.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.37 135.78 19.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -12.52 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -89.51 -21.7 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.44 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 74.5 t -94.27 -63.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 110' ' ' LEU . 17.3 tt -117.03 155.78 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.3 p -108.12 142.93 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.4 p90 -46.35 -28.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.609 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -69.54 -40.75 76.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.17 -36.96 80.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 32.2 mt -62.96 -45.88 90.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 12.4 mt -64.9 -36.46 84.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.2 83.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 62' ' ' LEU . 2.6 t -68.02 -43.57 85.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.787 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -72.18 -23.8 61.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 26.7 m95 -76.08 -25.81 55.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.65 -0.02 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -124.28 21.78 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -169.68 145.53 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.57 141.45 23.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.06 9.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.63 48.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.93 -17.53 46.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.218 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.96 -155.67 48.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.1 mtt -85.3 48.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -155.96 155.15 32.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -143.26 112.68 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.11 -118.4 13.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.34 23.91 9.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -114.04 133.26 55.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.83 127.24 53.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.653 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 162.19 154.7 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.6 p -77.0 0.38 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -5.07 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -107.41 39.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.06 -179.62 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.2 m -127.76 116.1 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.15 159.09 44.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 52.9 mt -118.87 130.01 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 177' ' ' THR . 67.1 m-85 -116.11 81.81 10.65 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 176' ' ' ALA . 4.3 mp -117.69 -10.31 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 0.5 OUTLIER -121.69 162.1 38.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -39.32 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.48 -30.52 71.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.92 -40.74 65.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 142' ' ' THR . 3.2 m-20 -61.25 -49.64 76.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.91 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.69 97.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.15 50.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.16 -48.32 68.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.38 72.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.451 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 89.8 p -69.52 -33.36 72.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.84 -51.88 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.7 -40.59 95.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -60.14 -43.07 95.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 2.7 m-85 -72.2 -31.52 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 160' ' ' MET . 21.2 tt0 -52.1 -33.94 41.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.35 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.04 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 157' ' ' GLN . 22.5 ptm -55.88 -36.22 67.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.7 OUTLIER -59.41 -42.77 92.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.7 -23.44 64.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.13 5.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 16.9 t0 77.0 7.9 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.33 91.76 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.63 17.04 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 160.12 24.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 169' ' ' ILE . 15.6 t60 -91.7 123.42 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.638 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 171' ' ' THR . 7.7 mt -56.59 130.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 72.5 p -105.08 -22.98 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.476 HG22 ' CG2' ' A' ' 169' ' ' ILE . 10.5 t -64.17 134.75 55.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.2 mt -125.01 122.13 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.76 142.04 38.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -43.74 151.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 141' ' ' LEU . . . -63.39 128.47 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.537 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.2 OUTLIER -102.6 -175.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.99 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -81.98 149.79 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.58 ' CE1' ' OD1' ' A' ' 79' ' ' ASN . 40.6 m-85 -125.87 122.7 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -60.34 135.42 57.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.19 169.19 13.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.21 147.2 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.0 -33.08 74.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -40.8 63.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -90.86 -28.53 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.453 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -61.23 136.76 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.496 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 1.3 pt20 41.81 42.99 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.78 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 17.0 t80 -63.08 -57.88 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.61 -22.74 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 188' ' ' GLN . 9.9 m170 -73.16 -42.62 62.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.08 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -138.36 109.25 8.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -106.42 26.29 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -84.86 -160.26 32.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.6 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.461 0.172 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.68 22.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -105.08 141.59 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.72 163.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 83.3 m -85.89 -42.41 14.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -123.88 176.76 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.425 ' HB3' ' N ' ' A' ' 32' ' ' GLY . 58.7 t-80 -79.12 168.8 19.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 28' ' ' HIS . . . -71.66 -64.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 191' ' ' HIS . 3.7 t -90.27 -47.7 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.1 -34.42 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 57.36 15.42 16.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -100.58 169.91 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.96 121.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -79.06 -52.57 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.3 p -66.15 -53.6 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.21 136.08 43.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.55 126.55 24.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.6 Cg_endo -74.96 146.13 32.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.46 124.32 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.7 -21.87 33.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' CE ' ' OD1' ' A' ' 101' ' ' ASP . 27.9 tpp -81.19 153.34 27.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.48 165.47 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.56 151.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.97 124.96 16.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 28.6 mt -105.17 130.1 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.4 m-85 -143.2 139.82 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.75 111.43 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.592 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 11.7 mmm -128.84 17.08 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 79.91 -124.35 6.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 26.6 p -41.89 109.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 34.8 p90 -85.59 -1.54 57.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.667 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.8 m0 -70.51 -60.54 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.46 -43.85 18.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 78.1 t -51.74 -51.27 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 66.6 tt0 -63.28 -34.23 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.62 -39.88 76.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' CD1' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.36 -44.0 92.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.35 -37.33 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.07 -38.24 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -76.22 -0.73 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 58' ' ' LEU . 1.4 mt -86.86 134.5 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.16 4.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.06 -5.67 10.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -95.44 115.42 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -70.6 -44.26 67.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -163.14 163.36 25.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -136.2 162.81 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.505 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -151.94 159.01 43.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.57 150.13 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.64 -177.07 41.75 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.472 1.108 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -133.09 151.47 52.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.423 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 9.5 t -170.62 171.46 6.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.07 -20.65 48.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.573 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.89 -172.45 43.97 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -111.08 -29.86 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 28.5 m -54.38 123.48 43.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.04 137.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.4 m120 40.38 63.14 5.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 167.13 27.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -124.98 159.02 32.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.92 -48.75 60.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -54.61 -30.24 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -46.56 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.516 ' HA ' ' CG2' ' A' ' 90' ' ' THR . 39.1 t -61.35 -49.59 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -42.07 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -50.18 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.7 17.1 17.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.48 30.11 4.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -122.68 -35.49 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.45 -1.13 86.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.573 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.3 m-70 -84.81 144.1 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.726 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.51 175.18 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -90.38 118.14 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.12 157.24 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 74.7 t -133.49 129.87 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' ALA . 1.7 ttt180 -88.54 120.13 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.19 139.14 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' TYR . 57.4 t -120.98 114.46 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.479 ' CD2' HG23 ' A' ' 105' ' ' ILE . 13.5 p90 -137.49 165.38 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD1' ' CE ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -104.6 138.5 19.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.82 20.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.2 t -88.49 -19.9 25.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.8 t -104.39 -60.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.479 HG23 ' CD2' ' A' ' 100' ' ' TYR . 16.9 tt -121.26 157.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 157.7 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.0 p90 -61.81 -29.22 70.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.4 tt0 -64.51 -41.81 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.38 -36.24 83.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.48 -39.56 85.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.62 -38.55 90.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.88 -44.33 82.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -62.07 -51.78 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -53.66 -34.61 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 156' ' ' PHE . 6.7 m0 -65.18 -33.23 75.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 107.963 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.19 8.2 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 113' ' ' VAL . 9.6 m-80 -125.95 8.04 7.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 49' ' ' MET . 0.1 OUTLIER -170.76 169.22 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.595 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -123.43 140.72 34.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.493 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.6 Cg_endo -74.98 -0.32 9.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.35 50.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 136' ' ' SER . 0.0 OUTLIER -77.19 -19.86 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.16 -158.14 45.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.478 ' CG ' HG22 ' A' ' 132' ' ' THR . 0.0 OUTLIER -88.18 42.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 0.805 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.451 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER 179.8 148.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -137.9 121.27 17.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.51 -115.36 7.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -106.11 6.59 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 8.8 m-20 -111.49 131.02 55.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.5 m-70 -114.02 154.78 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.545 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 129.28 162.63 10.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.478 HG22 ' CG ' ' A' ' 124' ' ' MET . 68.7 p -81.9 1.58 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -87.89 5.15 41.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 89.2 m-85 -125.1 19.42 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -74.99 164.13 26.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.452 ' N ' ' OE1' ' A' ' 122' ' ' GLN . 21.7 t -99.16 105.5 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.27 142.41 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.422 ' HB ' ' CG1' ' A' ' 173' ' ' ILE . 6.1 mt -109.86 132.66 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -124.61 86.06 55.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.16 18.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.406 HD22 ' CB ' ' A' ' 176' ' ' ALA . 2.0 mm? -115.77 -9.29 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.4 p -124.07 160.68 51.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.81 10.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.45 -33.16 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.34 -31.15 62.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -47.22 63.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -60.85 -37.64 82.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.06 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.73 45.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.68 -41.26 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -53.91 -36.66 62.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 p -74.15 -39.42 63.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.46 -51.69 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 151' ' ' ALA . 7.0 pt-20 -58.49 -33.67 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -77.07 -41.55 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CD2' ' CE2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -55.12 -44.35 74.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.89 -41.21 61.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.204 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.29 54.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.09 -56.23 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' A' ' 169' ' ' ILE . 4.7 ptm -64.51 -34.48 78.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.34 -37.58 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.77 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.09 -3.8 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 81.95 27.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.43 98.93 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.33 -5.95 57.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' CE ' ' A' ' 160' ' ' MET . 26.1 mmm-85 -56.04 159.9 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.05 129.31 46.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.672 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.431 ' CG2' ' SD ' ' A' ' 160' ' ' MET . 1.8 pt -67.08 121.58 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -91.86 4.99 51.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 t -82.07 150.24 27.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 156.01 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.422 ' CG1' ' HB ' ' A' ' 138' ' ' ILE . 1.7 mp -122.44 132.03 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.88 162.49 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -50.5 155.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.406 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -70.68 118.24 13.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 23.1 p -88.49 161.26 42.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.33 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -80.34 150.15 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.067 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.71 136.25 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.15 141.21 58.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.99 167.79 12.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.3 146.09 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 5.6 p-10 -58.08 -35.81 71.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -27.08 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.2 m-70 -91.06 -32.47 15.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 184' ' ' ASP . 81.7 mm-40 -56.35 129.52 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.237 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 44.32 48.88 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 6.6 t80 -61.7 -52.36 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.615 1.197 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -26.37 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.574 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.09 -38.03 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -67.14 -33.04 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -128.33 108.02 19.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.73 16.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -106.27 16.3 25.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -72.82 -167.48 10.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.497 0.189 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.58 33.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.28 141.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 157.37 13.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.7 m -81.99 -36.38 27.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -138.89 151.49 46.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 61.4 t-80 -54.29 166.85 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.613 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 188' ' ' GLN . . . -72.22 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG13 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.88 -48.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.439 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.42 -29.24 65.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.32 21.1 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -99.55 168.23 10.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 m -73.18 123.23 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -41.07 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -69.18 -51.29 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.25 129.63 42.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.227 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -124.34 118.42 26.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 149.24 36.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.51 130.98 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 95.55 -24.09 30.93 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 44.4 tpp -71.0 144.16 50.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -139.82 159.76 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' CZ ' ' A' ' 97' ' ' ARG . 4.4 mt -111.88 154.9 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.45 125.55 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 179' ' ' PHE . 10.1 mt -93.48 124.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 29.0 m-85 -136.76 151.7 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -134.27 110.38 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.561 ' HE2' ' CD1' ' A' ' 114' ' ' PHE . 0.6 OUTLIER -132.35 37.04 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 73.03 -129.34 12.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 20.0 m -41.17 110.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.725 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -85.73 -10.46 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.725 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -62.65 -56.61 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.48 -46.92 11.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 76.2 t -50.67 -58.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -35.17 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 52.0 ttt-85 -70.86 -43.85 67.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -54.12 -55.06 31.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.97 -33.89 75.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.527 ' CZ2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.61 -40.98 98.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -78.91 -22.25 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 113' ' ' VAL . 14.5 mt -59.14 134.89 87.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 113.51 3.8 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 123.28 -5.36 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.0 t -93.76 117.18 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.0 t80 -73.5 -43.04 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.165 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -171.01 162.06 7.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -128.96 168.54 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.46 152.21 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.31 139.29 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -170.08 -171.15 35.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.18 151.04 52.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.9 t -166.78 164.78 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -22.72 17.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.07 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 92' ' ' HIS . . . -96.53 -178.9 35.3 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -105.39 -27.18 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -51.0 118.15 9.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.05 13.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 8.7 m120 53.18 63.77 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.07 163.68 34.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 77.6 p -122.36 154.84 37.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -51.27 -42.46 61.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -48.46 77.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 29.0 mt-10 -56.95 -49.94 74.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.97 -46.08 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.98 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -50.03 45.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.74 18.72 22.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.575 1.172 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -100.03 16.47 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 59.9 p -116.76 -35.02 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.21 -10.66 72.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 66.7 m-70 -64.77 147.06 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.06 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.8 mt-10 -73.13 119.23 17.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.74 153.21 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.98 141.41 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 179' ' ' PHE . 1.5 mtt180 -89.92 130.9 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ALA . 3.6 mp -116.71 123.83 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' TYR . 45.0 t -101.28 114.59 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.405 ' CG ' HD13 ' A' ' 110' ' ' LEU . 20.1 p90 -131.2 161.3 32.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 137.0 20.05 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.6 Cg_endo -74.99 -7.72 19.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -88.0 -14.46 39.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.4 t -114.99 -62.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 15.3 tt -113.39 165.5 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' A' ' 105' ' ' ILE . 98.4 p -114.55 167.32 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.921 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.0 p90 -70.55 -40.56 73.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.63 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -62.29 -34.1 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -62.22 -44.71 95.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' A' ' 100' ' ' TYR . 77.8 mt -61.94 -48.42 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 149' ' ' ALA . 6.0 mt -54.92 -45.87 74.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -61.06 -37.83 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 62' ' ' LEU . 30.9 t -62.53 -39.09 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.561 ' CD1' ' HE2' ' A' ' 49' ' ' MET . 0.0 OUTLIER -61.37 -38.74 88.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 2.4 m95 -86.33 -22.24 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' GLN . 4.7 mt-10 -92.79 0.94 57.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 113' ' ' VAL . 21.9 t-20 -111.22 -47.72 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 126' ' ' GLN . 3.3 t-160 -142.74 167.14 22.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 123.6 68.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.519 ' HG3' ' CE3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 1.4 7.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.35 50.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -106.88 -5.66 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.02 -142.8 48.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 44.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.92 156.88 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 118' ' ' HIS . 43.5 tp60 -139.91 110.89 6.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.89 -114.75 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -103.84 16.28 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.84 144.17 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -120.02 146.96 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.24 149.99 5.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.9 m -72.69 -6.1 42.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.773 . . . . 0.0 110.446 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -91.68 -3.43 56.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.47 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 51.6 m-85 -113.95 54.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.9 179.33 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -113.78 121.96 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.33 145.48 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.56 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 85.4 mt -115.28 138.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.08 83.48 56.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.0 166.15 29.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.93 -21.98 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.208 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.5 p -108.09 160.8 25.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -75.68 -36.72 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 54.3 tt0 -65.6 -37.8 87.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -65.08 -50.47 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -58.97 -37.02 75.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.5 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -74.2 -34.32 63.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 111' ' ' LEU . . . -67.82 -54.75 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -65.98 -30.18 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -71.82 -33.99 68.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 54.2 p -77.49 -25.71 50.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -67.27 -49.37 64.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.61 -36.73 81.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 160' ' ' MET . 10.9 t80 -71.47 -35.63 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.18 -44.32 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.36 -34.16 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.57 16.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 156' ' ' PHE . 3.2 ptt? -64.52 -37.08 86.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.6 tp -51.28 -45.88 62.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.11 -24.47 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -87.99 7.11 32.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.0 t0 75.04 18.97 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.64 94.08 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 19.84 5.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.99 162.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -93.27 129.8 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -76.37 113.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 16.7 p -94.17 -28.9 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -41.82 132.92 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -134.31 130.46 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.443 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 2.9 mt -106.91 132.06 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.53 162.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -49.1 141.03 8.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.5 118.32 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.88 167.08 32.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 80.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 97' ' ' ARG . 25.6 p90 -61.13 150.59 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.43 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 20.5 m-85 -124.41 120.22 31.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.84 118.7 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -76.24 170.13 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 153.9 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.94 -33.15 74.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -35.55 49.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.86 -45.9 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.15 132.61 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.475 ' CG ' ' HB1' ' A' ' 29' ' ' ALA . 11.4 mp0 47.36 47.57 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.62 ' CE1' ' CE3' ' A' ' 53' ' ' TRP . 21.8 t80 -63.99 -51.24 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -24.8 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -39.55 47.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -37.5 79.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.6 94.43 48.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.17 20.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -100.03 -4.32 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -58.78 -157.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.501 0.191 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.46 27.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.7 t -118.64 152.73 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.79 158.18 18.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 m -81.28 -38.02 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -132.3 154.31 49.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 56.0 t-80 -57.65 171.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.75 -64.59 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.4 t -91.66 -52.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.497 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 54.9 m-80 -57.65 -25.87 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 40.32 28.85 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASN . 48.3 m170 -100.43 159.68 14.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 0.744 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -44.68 119.46 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -48.39 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.4 p -89.24 -51.46 5.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.73 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -118.88 124.53 28.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.92 37.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.22 126.41 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.25 -9.23 49.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.9 tpp -95.98 146.76 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -132.43 164.85 25.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 45' ' ' ALA . 4.6 mt -115.51 155.56 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . -141.95 128.06 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.726 ' CD1' ' CE2' ' A' ' 179' ' ' PHE . 3.8 mp -113.44 132.23 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 49.0 m-85 -149.45 146.64 27.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.53 122.93 47.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 3.2 mtp -142.19 46.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 126' ' ' GLN . . . 63.99 -131.89 39.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -42.55 111.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 1.8 p90 -83.62 -8.94 59.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 189' ' ' TYR . 37.3 m0 -70.3 -54.16 13.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.01 -37.15 44.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 93.3 t -65.26 -57.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt0 -55.08 -30.32 59.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.8 ttt180 -59.6 -55.08 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CE1' HD13 ' A' ' 98' ' ' ILE . 3.2 m-85 -66.3 -52.19 49.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.626 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -67.41 -39.93 85.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.054 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.12 0.08 20.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -77.0 129.64 77.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.62 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 128.05 -3.24 6.84 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG11 ' CG2' ' A' ' 68' ' ' THR . 2.8 t -98.89 123.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -71.57 -44.53 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 m -165.32 161.69 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.412 ' CG2' HG11 ' A' ' 65' ' ' VAL . 80.6 p -134.44 167.31 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -158.29 149.28 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -103.85 145.75 29.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.03 -172.45 31.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -127.16 153.17 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 177' ' ' THR . 10.9 t -170.56 173.94 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.16 -8.22 72.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.21 -173.17 19.16 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -110.2 -31.38 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -51.46 117.72 9.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 138.14 22.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 0.8 OUTLIER 46.82 64.15 8.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.06 161.25 38.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.767 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' CG ' ' A' ' 84' ' ' GLU . 7.0 t -125.07 163.86 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -57.23 -41.77 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -54.14 50.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.2 mt-10 -61.84 -49.29 76.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.7 -49.39 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.5 t -51.49 -39.12 56.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -49.77 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.46 20.5 10.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -99.43 19.6 15.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 20.3 p -115.35 -32.07 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.95 2.79 87.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 89.5 m-70 -91.63 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.83 174.96 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -81.0 115.51 20.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.34 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 18.9 t -150.07 134.98 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.57 120.67 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.364 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 59' ' ' PHE . 5.2 mp -115.26 133.6 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' TYR . 95.6 t -111.47 114.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -131.3 164.69 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.98 138.79 22.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -3.03 13.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -19.21 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.062 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 66.8 t -108.22 -61.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 tt -113.41 168.44 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -124.68 153.1 42.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 5.2 p90 -57.25 -27.5 62.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 24.7 tt0 -66.57 -40.67 89.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.87 -45.5 85.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 21.9 mt -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.582 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 57.1 mt -57.09 -43.06 81.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.572 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 11.8 tt0 -61.14 -36.06 78.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 62' ' ' LEU . 2.3 t -64.27 -44.47 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 7.0 m-30 -49.85 -52.09 35.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -67.39 -35.46 79.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 108.018 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.19 3.56 20.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 113' ' ' VAL . 36.9 t-20 -112.89 -44.69 3.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.469 ' NE2' ' NE2' ' A' ' 126' ' ' GLN . 6.1 m-70 -165.09 169.99 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.8 144.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.44 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.52 50.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' CD ' ' A' ' 122' ' ' GLN . 0.7 OUTLIER -100.01 20.27 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 48.63 -134.71 20.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.71 61.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.95 160.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.469 ' NE2' ' NE2' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -145.68 132.21 19.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.581 1.175 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.39 -130.41 44.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -91.78 12.77 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.1 m-20 -106.92 130.87 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -119.77 144.8 47.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.27 158.52 8.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.7 m -78.34 -1.06 31.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.471 0.747 . . . . 0.0 110.368 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.79 -11.05 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 26.0 m-85 -104.07 52.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -94.47 -175.25 3.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.8 t -117.33 125.59 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.25 150.51 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 25.9 mt -125.01 130.58 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -121.26 84.7 41.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.32 -36.06 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.428 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 58.9 p -91.63 161.52 33.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -27.35 10.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.16 -32.74 61.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -72.0 -39.1 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 142' ' ' THR . 2.7 m-20 -59.34 -50.09 75.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.05 81.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -62.7 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . . . -58.05 -54.11 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.241 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -63.15 -37.05 85.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.51 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.0 p -77.99 -33.33 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' A' ' 171' ' ' THR . 5.9 tt -57.67 -51.14 70.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.54 -34.03 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -69.05 -42.59 76.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -63.1 -42.25 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.45 -37.76 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.15 -43.42 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.85 -53.42 56.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 17.5 mtp -58.05 -48.44 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 mp -56.78 -39.38 73.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.63 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -91.77 9.0 34.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.22 24.2 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.31 104.69 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.76 15.13 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -50.55 145.81 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -91.97 121.38 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.599 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.13 130.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 73.8 p -116.57 14.94 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.401 ' CG2' HD11 ' A' ' 153' ' ' LEU . 2.6 t -86.88 146.63 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.85 142.45 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.91 127.96 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.9 161.78 39.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -49.85 161.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.88 127.44 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.524 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 7.1 p -100.3 171.26 5.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.726 ' CE2' ' CD1' ' A' ' 46' ' ' ILE . 4.1 m-85 -69.0 148.9 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -109.7 125.95 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.22 136.59 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.93 169.27 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.72 135.41 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.3 -30.04 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -36.81 70.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -85.61 -48.57 8.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 33.8 mt-30 -50.13 130.84 23.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 1.3 mp0 65.07 39.32 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.634 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 11.7 t80 -59.93 -57.26 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -23.89 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.1 OUTLIER -74.78 -46.28 38.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.61 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -56.78 -37.69 71.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -135.43 104.4 10.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.65 21.34 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -103.33 8.13 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.81 -155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . 0.518 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.763 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.495 0.188 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.68 29.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.96 149.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.99 166.31 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.8 m -77.5 -45.08 26.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 mt -115.38 157.34 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.453 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 58.8 t-80 -66.11 170.93 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . . . -72.8 -63.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 5.5 t -91.34 -52.55 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 38.1 m-80 -56.94 -28.79 62.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.23 20.87 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.416 1.073 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -100.37 170.22 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 0.729 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -60.99 119.95 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.11 -55.03 5.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 p -76.29 -42.86 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.74 129.71 37.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 44' ' ' ILE . 58.6 t -120.82 121.51 28.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.01 140.37 25.35 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.44 141.75 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.93 -32.43 5.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.462 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -114.46 158.45 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' OE1' ' CG2' ' A' ' 142' ' ' THR . 4.9 pt-20 -126.85 174.71 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.602 ' CG2' ' CG ' ' A' ' 97' ' ' ARG . 6.5 mt -105.25 148.57 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -133.57 126.99 32.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.744 ' CD1' ' CE1' ' A' ' 179' ' ' PHE . 3.7 mp -109.71 136.66 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 23.8 m-85 -147.61 144.17 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -114.85 120.71 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.403 ' O ' ' NE2' ' A' ' 126' ' ' GLN . 1.4 ttm -138.13 11.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 94.48 -128.34 9.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 20.3 p -41.86 110.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 31.0 p90 -85.94 -2.29 58.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.641 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 40.0 m0 -70.2 -60.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.96 -44.42 14.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' A' ' 59' ' ' PHE . 77.3 t -52.68 -57.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 6.1 tt0 -60.79 -33.71 73.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -69.53 -38.21 77.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -33.09 48.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -66.03 -53.7 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.01 -14.82 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.81 0.31 27.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' CD1' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -87.53 141.53 32.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 108.07 2.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.82 -2.78 6.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' A' ' 68' ' ' THR . 49.5 t -85.25 111.71 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 1.4 t80 -70.5 -43.64 69.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.13 165.03 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' HG13 ' A' ' 65' ' ' VAL . 67.9 p -149.35 143.55 25.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 160.3 40.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.85 140.76 47.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -158.86 -168.68 21.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.62 151.18 51.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -167.44 168.96 12.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.2 -20.83 30.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -106.86 179.35 22.48 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -99.64 -26.49 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.419 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 46.1 m -50.99 114.09 4.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.5 13.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 180' ' ' TYR . 25.1 m-20 48.83 64.15 9.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.98 166.51 29.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.553 1.818 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.9 p -117.79 156.64 27.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.6 t80 -51.14 -39.32 56.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -52.7 39.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -56.47 -47.77 78.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.434 ' CG1' ' OE1' ' A' ' 133' ' ' GLN . 78.1 t -63.64 -44.47 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -30.99 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -50.15 44.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.89 7.2 36.44 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.81 17.69 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -25.71 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.41 0.36 66.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 87.7 m-70 -87.38 155.36 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.668 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.07 173.3 8.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.0 tm-20 -75.8 117.99 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.01 158.88 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -142.13 153.59 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.602 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -101.75 137.35 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ALA . 5.2 mp -133.42 116.45 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.4 t -98.99 119.18 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.487 ' CD2' ' CD1' ' A' ' 110' ' ' LEU . 3.9 p90 -137.01 165.32 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.69 135.29 20.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -9.43 20.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -89.71 -18.12 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.4 t -108.27 -56.46 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.3 tt -117.16 163.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -115.11 153.54 30.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 11.3 p90 -61.93 -27.35 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.8 tm-20 -65.74 -37.78 87.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.9 -39.54 87.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.487 ' CD1' ' CD2' ' A' ' 100' ' ' TYR . 45.8 mt -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.529 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 5.0 mt -72.87 -33.24 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.575 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -60.59 -40.58 92.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -70.29 -35.37 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.39 -49.8 71.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.68 -23.46 58.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.977 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -92.19 5.73 49.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 113' ' ' VAL . 11.6 t-20 -116.15 -34.83 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 126' ' ' GLN . 75.2 t60 -170.11 168.52 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.33 140.63 22.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.486 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -75.04 0.65 8.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 169' ' ' ILE . . . -104.22 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -14.98 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.78 -143.97 44.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.4 mtt -86.59 46.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.407 0.71 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 143.59 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -130.07 150.93 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.93 -128.34 25.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -103.75 15.67 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' CG ' ' A' ' 134' ' ' TYR . 1.2 p30 -113.94 145.22 41.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.562 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.82 157.21 7.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 m -78.8 0.13 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.434 ' OE1' ' CG1' ' A' ' 85' ' ' VAL . 10.7 tt0 -95.05 -22.83 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.436 ' CG ' ' OD1' ' A' ' 129' ' ' ASP . 29.9 m-85 -91.28 43.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -88.65 -177.69 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.72 136.95 54.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.41 144.82 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 22.4 mt -117.44 124.34 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -115.02 87.75 15.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 162.04 37.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.84 -24.81 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.485 ' CG2' ' OE1' ' A' ' 43' ' ' GLU . 8.3 p -109.83 162.37 20.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.87 11.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.9 -32.58 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -74.49 -32.0 62.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -51.41 44.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.1 89.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.69 -41.05 65.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.89 -52.99 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -32.7 74.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.67 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.417 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 4.8 p -78.61 -32.03 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.13 -52.13 60.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.06 78.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -66.81 -43.6 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.486 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 8.6 t80 -61.73 -38.18 86.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -51.67 -40.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.98 32.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.24 -56.79 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -56.13 -36.06 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.468 ' N ' ' SD ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -58.67 -39.95 82.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.91 67.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -81.99 1.21 36.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.17 31.69 5.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.43 118.86 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.63 16.4 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 8.1 mmt180 -89.77 87.96 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 31.8 t60 -59.71 129.06 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.658 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -52.29 134.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -105.91 -18.76 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 12.4 t -45.35 131.97 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 129.74 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.3 133.32 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.59 155.27 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.06 146.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.12 117.95 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.618 ' O ' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -89.69 169.13 13.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.744 ' CE1' ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -84.68 138.75 32.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 0.9 OUTLIER -104.43 130.73 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.436 ' OH ' ' NH2' ' A' ' 97' ' ' ARG . 58.6 m-85 -60.89 135.87 57.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.87 170.01 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.17 156.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -40.97 96.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -38.77 40.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 72.4 m-70 -79.09 -46.67 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.8 117.38 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 50.27 58.05 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.5 t80 -74.25 -35.47 63.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -13.82 62.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 29' ' ' ALA . 19.0 t60 -82.62 -37.44 24.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -24.97 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.27 113.41 8.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.93 13.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -108.49 14.84 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.38 -154.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 0.728 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 22' ' ' MET . 2.5 mpp? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.176 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 159.67 40.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.563 1.823 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -101.86 150.76 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.41 166.95 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -77.65 -45.06 26.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mt -135.97 165.24 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CE1' ' H ' ' A' ' 30' ' ' VAL . 58.9 t-80 -55.29 167.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' CB ' ' HG3' ' A' ' 188' ' ' GLN . . . -71.67 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 10.4 t -90.69 -47.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.74 -29.62 66.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 48.68 22.02 2.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t60 -100.53 170.11 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 109.58 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -49.35 125.84 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 2.2 mmt -79.38 -48.83 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 p -92.97 -49.7 5.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.32 126.63 21.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.47 125.18 27.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.82 38.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.94 137.41 57.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.3 6.58 58.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.401 ' SD ' ' OD1' ' A' ' 101' ' ' ASP . 22.8 mmt -111.83 169.43 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -149.87 162.73 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 97' ' ' ARG . 10.5 mt -119.24 151.01 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.85 124.14 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' HB ' ' CB ' ' A' ' 139' ' ' TYR . 2.3 mp -90.04 126.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 2.0 m-85 -131.37 140.49 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.34 109.49 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 6.1 mtp -135.53 32.27 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -129.69 9.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -43.42 108.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 35.0 p90 -82.46 -3.18 55.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 45.8 m0 -71.15 -51.82 22.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.1 -30.7 54.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 44.4 t -69.86 -57.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 16.6 pt-20 -51.92 -48.14 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -71.39 -26.42 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -68.92 -37.85 79.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 98' ' ' ILE . 18.0 m-85 -84.19 -35.0 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -51.57 67.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.23 -17.64 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 137.94 90.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.67 5.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.84 -11.86 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 68' ' ' THR . 71.0 t -95.08 114.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -68.9 -39.54 79.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -169.19 164.44 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' HG11 ' A' ' 65' ' ' VAL . 33.9 p -140.22 154.63 46.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -142.52 146.88 35.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.47 149.97 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.5 -173.01 36.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -136.83 146.77 46.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.42 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 11.3 t -168.79 163.06 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.363 1.039 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.19 -17.48 19.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.1 -157.87 33.47 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -119.48 -33.87 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 42.2 m -55.43 130.05 69.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.561 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 39.76 65.27 3.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.13 169.06 23.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -91.85 163.03 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -69.51 -32.73 71.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -63.59 -39.19 93.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.402 1.064 . . . . 0.0 110.25 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 20.4 mt-10 -69.32 -45.36 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.7 t -54.58 -50.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.93 -41.97 59.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 108.259 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -63.97 -48.46 76.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.073 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.2 29.49 7.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -13.81 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 5.1 p -94.69 -33.67 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.67 60.8 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.596 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 68.8 m-70 -57.75 140.9 50.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.62 153.05 22.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.96 114.49 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.14 168.31 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 43.8 t -147.72 133.56 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 1.2 ttm180 -84.9 122.36 29.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.505 HD12 ' CE2' ' A' ' 59' ' ' PHE . 2.2 mp -108.36 127.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 46.0 t -112.11 120.94 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 p90 -149.89 166.21 30.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -107.38 136.81 19.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 1.06 8.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -18.63 25.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.5 t -113.36 -60.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.4 tt -105.08 162.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 p -125.27 161.95 25.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 145' ' ' GLN . 26.9 m-85 -55.31 -39.29 69.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -42.54 95.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -61.98 -35.06 77.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 34.5 mt -75.32 -34.66 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.455 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 35.2 mt -75.45 -42.72 52.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.569 ' HA ' ' CH2' ' A' ' 115' ' ' TRP . 2.7 pt20 -55.77 -40.61 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -70.9 -36.23 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 138' ' ' ILE . 6.2 t80 -45.78 -52.44 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -76.51 -33.57 58.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -7.19 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.446 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 13.0 t-20 -117.99 -50.34 2.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 16.4 t60 -144.0 130.27 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 18.4 p-10 -74.26 142.96 79.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.469 ' CB ' ' HB ' ' A' ' 171' ' ' THR . 18.1 Cg_endo -75.05 0.15 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.04 47.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.45 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 1.2 tt0 -95.54 -18.14 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.26 -171.44 44.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 mtp -74.6 59.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 0.72 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 160.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.71 124.61 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.01 -116.14 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -97.42 2.94 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.93 116.79 30.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.33 144.56 34.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.49 164.86 12.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 30.3 p -83.0 -3.66 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -97.63 -7.77 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -109.3 39.57 2.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -100.01 164.53 11.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 110.213 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -88.51 136.87 32.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.0 135.02 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.552 HD11 ' CE2' ' A' ' 114' ' ' PHE . 13.8 mt -112.76 120.66 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.474 ' CE1' HG23 ' A' ' 177' ' ' THR . 8.9 m-85 -116.55 85.08 15.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.46 41.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -26.58 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 74.3 p -103.6 161.01 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.28 10.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.0 -32.32 61.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.573 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 45.9 tt0 -70.03 -44.9 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -48.38 76.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.66 97.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.09 87.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.414 ' N ' HD13 ' A' ' 111' ' ' LEU . . . -57.69 -54.07 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -61.45 -39.61 91.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.11 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.6 p -63.34 -42.42 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 tt -61.2 -52.22 65.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.85 -34.55 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -40.28 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.401 ' O ' ' CG ' ' A' ' 160' ' ' MET . 88.2 t80 -59.91 -42.4 93.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.68 -39.5 58.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.88 37.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.97 -56.65 16.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.414 ' HE1' ' CB ' ' A' ' 167' ' ' ARG . 0.0 OUTLIER -60.28 -33.88 72.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.42 -43.0 98.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.3 -18.74 65.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.11 -2.67 58.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 10.2 t0 79.09 25.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -109.72 108.71 19.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.98 16.58 8.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.414 ' CB ' ' HE1' ' A' ' 160' ' ' MET . 0.0 OUTLIER -50.39 132.87 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -82.98 126.37 32.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.4 129.01 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 15.0 t -104.91 -29.52 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 2.1 t -41.72 133.26 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.6 133.34 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.1 mt -107.54 118.0 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.27 156.76 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.95 141.39 28.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -49.45 125.18 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.474 HG23 ' CE1' ' A' ' 139' ' ' TYR . 1.3 p -95.95 164.05 19.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 73.92 4.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -73.54 149.95 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 8.8 m-85 -112.38 138.79 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.496 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 5.4 m-85 -62.88 143.07 57.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -85.03 170.05 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.44 157.57 3.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -42.37 97.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -37.37 37.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.86 -32.63 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.94 127.43 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER 54.34 41.29 32.06 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.581 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 20.4 t80 -62.74 -59.87 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -23.05 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' ARG . 11.8 m170 -76.7 -47.07 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.13 106.03 19.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -11.11 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -102.87 12.47 36.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -69.83 -168.39 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 180' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.463 0.173 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.06 40.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 37.1 t -127.4 159.89 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -67.58 157.66 33.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 m -77.97 -44.89 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.29 158.17 25.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 68' ' ' THR . 58.7 t-80 -58.97 170.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.424 ' N ' ' ND1' ' A' ' 28' ' ' HIS . . . -73.02 -65.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.45 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 14.2 t -91.22 -53.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.438 HD21 ' CD2' ' A' ' 28' ' ' HIS . 71.9 m-80 -56.7 -27.0 58.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 45.7 22.93 0.82 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -100.36 170.37 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.641 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.55 119.03 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 mtp -81.71 -54.13 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -78.93 -56.08 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -61.28 128.21 35.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.7 137.53 19.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 143.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.806 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 127.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.63 51.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.558 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -93.85 165.28 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -142.17 162.99 34.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' CG2' ' HG3' ' A' ' 97' ' ' ARG . 5.5 mt -112.77 151.89 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.65 124.79 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.4 mt -97.86 125.59 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -138.48 146.86 42.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.91 113.67 14.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 1.0 OUTLIER -130.08 12.43 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 95.67 -127.16 9.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -41.5 109.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 32.8 p90 -86.64 -1.82 58.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 50.0 m0 -70.12 -61.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.71 -43.22 15.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 55.7 t -52.44 -57.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.599 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 tt0 -64.45 -33.28 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 tmt_? -64.55 -38.12 89.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' CD2' ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -81.06 -40.68 23.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.83 -56.76 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -63.5 -15.75 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 2.6 mm-40 -85.81 -10.24 55.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.66 139.01 88.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.79 2.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 128.65 -2.98 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.71 114.43 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -73.45 -45.98 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.23 155.8 41.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 4.4 m -150.91 141.49 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -139.49 159.74 41.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.22 148.36 31.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.08 -158.7 11.67 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' O ' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -146.65 150.88 36.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -170.63 167.22 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.92 -16.45 15.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.89 -169.82 43.86 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.07 -32.74 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.5 m -53.38 125.52 43.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.6 Cg_endo -74.95 142.56 28.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 1.3 m120 43.69 62.58 9.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' CE1' ' A' ' 72' ' ' TYR . 18.2 Cg_endo -75.01 158.9 41.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 m -125.08 150.03 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 t80 -55.49 -29.93 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -62.12 -57.51 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' A' ' 90' ' ' THR . 6.5 pt-20 -66.26 -37.61 85.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 t -50.0 -49.58 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -29.04 26.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.238 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -69.78 -28.26 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.88 13.51 83.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.584 1.177 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -100.13 25.02 7.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.502 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 5.4 p -120.28 -35.69 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.02 -8.46 78.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 66.9 m-70 -80.12 147.78 31.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.03 175.47 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.88 115.53 21.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.21 168.47 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.76 131.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -91.04 125.29 35.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 59' ' ' PHE . 2.7 mp -116.38 133.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' TYR . 18.6 t -116.21 115.02 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -136.13 164.97 26.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.02 139.48 20.15 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.98 20.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -90.12 -24.21 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 48.2 t -97.47 -59.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.4 tt -119.45 163.61 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 p -116.41 159.12 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.6 p90 -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.631 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -63.59 -40.79 97.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.24 -33.38 75.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.04 -50.29 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.482 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 2.6 mt -59.67 -41.31 90.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.602 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 3.2 tt0 -55.07 -52.08 64.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 117' ' ' ASN . 34.5 t -52.84 -35.53 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 7.8 t80 -53.75 -46.63 70.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.602 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -88.14 -18.76 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 113' ' ' VAL . 3.9 m-80 -131.06 -50.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 51.0 t60 -108.9 170.69 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.548 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 10.4 t0 -116.38 136.49 23.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' OD1' ' A' ' 119' ' ' ASP . . . -129.2 50.26 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG3' ' CE1' ' A' ' 118' ' ' HIS . 1.9 mm-40 -84.42 -20.37 31.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 -166.94 48.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.488 ' CE ' ' HB ' ' A' ' 132' ' ' THR . 0.8 OUTLIER -77.33 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 111.046 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 8.7 ptt-85 179.94 170.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.76 122.1 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.03 -123.85 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -91.58 -1.73 57.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 0.803 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.65 131.84 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.7 p80 -116.67 147.42 41.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.79 175.88 28.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.488 ' HB ' ' CE ' ' A' ' 124' ' ' MET . 1.9 t -89.88 -13.46 36.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.33 -6.7 56.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -106.87 29.12 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -89.51 178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.11 131.53 55.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.09 144.97 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.68 129.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -124.15 85.65 54.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.5 33.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.85 -21.76 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.5 p -112.97 162.92 19.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.5 6.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.68 -31.23 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -72.64 -40.41 66.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.45 85.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.42 83.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.04 70.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.08 -54.24 49.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 12.2 ptm180 -64.23 -31.68 72.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 155' ' ' ARG . . . -69.08 -45.55 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.6 p -58.14 -33.76 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 tt -70.09 -51.22 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.21 -32.54 73.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 151' ' ' ALA . 47.0 ttt-85 -71.99 -41.42 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -74.03 -37.92 64.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -57.76 -27.56 63.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.04 -33.93 44.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.36 -54.97 18.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.463 ' HE2' ' CB ' ' A' ' 167' ' ' ARG . 26.9 ptm -57.18 -34.48 68.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -44.38 87.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.61 -17.52 60.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.35 16.96 12.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 62.63 19.69 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.71 105.28 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -89.32 15.64 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.463 ' CB ' ' HE2' ' A' ' 160' ' ' MET . 0.2 OUTLIER -49.99 155.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -97.87 127.47 43.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.578 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -66.59 119.49 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.87 -33.83 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.7 m -46.81 130.81 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.87 128.06 39.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 4.8 mt -97.4 121.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.19 147.49 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -41.47 139.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -55.59 118.0 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 3.1 p -98.94 163.11 19.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.763 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -102.69 150.32 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.554 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -110.14 139.18 45.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -63.28 141.19 58.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.94 160.95 18.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.95 158.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.5 -30.13 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -37.15 85.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.5 m-70 -80.06 -51.15 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.77 123.11 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 49.31 53.52 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.587 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.8 t80 -69.62 -48.2 60.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.4 -9.75 50.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -25.43 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.82 100.88 9.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -14.58 20.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -108.86 20.95 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -76.53 -168.03 26.95 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.523 0.778 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.486 0.184 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.38 143.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.85 150.15 7.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 m -76.82 -31.05 56.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mt -135.43 158.37 44.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 49.9 t-80 -57.98 163.96 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -74.77 -54.78 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -91.15 -52.12 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 1.9 t30 -57.33 -34.48 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 60.46 12.69 26.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -100.74 167.95 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.614 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -52.95 119.83 5.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mmm -80.24 -43.58 21.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.9 p -74.82 -53.87 8.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 129.64 41.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.3 t -121.85 135.02 24.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 148.7 35.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.0 126.8 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.12 -9.7 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.404 ' SD ' ' C ' ' A' ' 100' ' ' TYR . 34.9 tpp -91.73 157.64 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -138.32 165.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -119.22 151.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -139.33 125.31 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.709 ' CD1' ' CE2' ' A' ' 179' ' ' PHE . 2.6 mp -105.67 131.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -142.95 149.0 37.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.74 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.594 ' HE1' ' CD1' ' A' ' 114' ' ' PHE . 5.6 ttm -136.53 16.38 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 -130.65 10.38 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -43.85 110.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 23.7 p90 -83.63 0.45 46.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.801 ' CZ3' ' CE2' ' A' ' 189' ' ' TYR . 30.1 m0 -70.94 -61.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.84 -43.06 15.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 75.5 t -52.8 -47.01 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 82.3 tt0 -69.27 -32.05 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.646 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 ttt180 -61.68 -56.07 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.19 72.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -52.91 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.646 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.52 -21.21 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.081 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.61 0.44 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 113' ' ' VAL . 7.1 mt -86.11 142.47 36.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 113.9 3.9 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.23 -13.63 9.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 98' ' ' ILE . 18.6 t -82.62 120.09 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.409 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.1 t80 -73.57 -56.07 5.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -153.47 164.12 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.1 p -133.13 160.82 36.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.566 ' HB3' ' CE2' ' A' ' 181' ' ' TYR . . . -147.54 151.25 36.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.01 120.34 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.8 177.47 20.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -120.31 151.82 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -169.61 177.02 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.66 -26.15 19.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.75 -166.76 42.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -115.8 -34.36 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 0.815 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 54.2 m -52.6 117.92 11.87 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.613 1.196 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 125.81 9.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 19.8 t-20 58.99 63.79 3.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.472 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.9 163.87 34.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.823 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.5 p -121.26 158.62 27.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -51.12 -45.52 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -60.04 -52.44 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.4 mt-10 -55.22 -49.6 71.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -61.23 -41.15 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -36.24 62.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -49.64 58.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.16 16.44 25.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.77 15.9 22.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 2.5 p -111.8 -29.35 7.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.08 0.3 69.65 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 81.5 m-70 -79.86 150.94 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.54 169.79 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.51 115.69 21.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.81 166.69 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 83.9 t -146.72 135.03 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -93.88 118.32 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.471 ' CG2' HG22 ' A' ' 65' ' ' VAL . 4.9 mp -108.74 126.97 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' TYR . 14.7 t -108.54 118.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.404 ' C ' ' SD ' ' A' ' 42' ' ' MET . 41.6 p90 -141.4 161.7 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.95 133.51 20.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.36 9.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -90.33 -18.97 24.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.4 t -112.04 -61.65 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.4 tt -109.65 166.58 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 p -122.87 154.04 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 17.2 p90 -58.04 -35.41 71.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.644 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 tt0 -57.86 -47.67 82.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -58.18 -35.32 71.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.0 mt -70.19 -44.26 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.606 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.9 OUTLIER -67.46 -45.04 77.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -36.52 71.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -69.53 -36.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.594 ' CD1' ' HE1' ' A' ' 49' ' ' MET . 30.2 t80 -54.72 -52.92 60.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 2.2 m95 -73.2 -19.11 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -97.9 8.85 44.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 113' ' ' VAL . 65.1 t30 -111.6 -50.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.41 167.77 26.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.24 115.28 64.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.535 ' HG3' ' CE3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.05 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.71 48.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -100.0 -18.65 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 88.5 -151.72 22.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.3 54.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -179.95 150.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.2 126.95 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.47 -120.04 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.96 10.64 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.9 m-20 -110.38 127.81 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.24 153.17 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.646 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.59 162.82 10.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -84.37 -3.47 58.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 0.711 . . . . 0.0 110.373 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.23 -9.63 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 36.5 m-85 -97.58 37.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -76.86 -170.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.7 m -139.52 134.94 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.47 148.13 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.8 133.39 59.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -129.58 89.83 45.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 176.02 10.48 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -111.06 -28.54 8.26 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -116.94 168.08 9.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.84 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.44 1.758 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.66 -34.91 78.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -73.22 -37.05 66.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -49.13 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.05 69.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.23 -41.91 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.05 -52.29 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -66.02 -31.94 73.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.98 -48.51 52.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.1 p -56.53 -43.91 80.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 5.3 tt -64.45 -45.63 86.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.48 -42.34 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -46.36 35.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.0 -45.74 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -51.97 -34.66 43.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -76.72 -33.91 58.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -55.7 17.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 165' ' ' ASP . 4.0 ptm -58.96 -33.69 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.6 OUTLIER -63.13 -39.06 93.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.44 -19.09 64.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.51 15.64 10.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.8 t0 67.33 24.61 8.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 160' ' ' MET . 7.1 t70 -89.37 87.08 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -4.64 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.057 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 150.75 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -97.56 139.66 33.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.4 118.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.0 t -94.45 -8.19 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 12.7 t -80.25 148.99 30.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 110.427 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.91 149.33 43.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp -101.04 133.42 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.87 161.91 40.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.89 158.81 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.4 124.29 27.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -102.13 178.64 1.16 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.459 1.1 . . . . 0.0 110.399 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.1 Cg_endo -75.02 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.709 ' CE2' ' CD1' ' A' ' 46' ' ' ILE . 9.2 m-85 -71.35 144.19 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 37.0 m-85 -110.97 119.91 40.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 7.3 m-85 -60.36 133.14 55.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -89.96 169.48 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.58 136.97 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.83 -37.69 52.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -25.61 6.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 97.8 m-70 -98.43 -47.21 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 188' ' ' GLN . 13.6 mt-30 -51.55 134.29 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 187' ' ' GLN . 7.7 pt20 34.78 49.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.801 ' CE2' ' CZ3' ' A' ' 53' ' ' TRP . 41.5 t80 -60.82 -32.32 71.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.436 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -60.99 -18.8 59.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.572 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -71.12 -35.68 71.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -44.77 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.41 ' OD1' ' CE2' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -132.37 114.42 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -16.12 20.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 195' ' ' TYR . 3.2 p90 -105.05 23.91 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -78.1 -167.92 31.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 111.002 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.39 25.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.61 159.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 158.11 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 m -75.92 -31.55 59.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 mt -134.51 175.26 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.2 t-80 -72.28 168.14 18.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -64.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.61 ' CG1' ' CZ2' ' A' ' 60' ' ' TRP . 2.8 t -90.82 -48.29 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -57.92 -30.76 66.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 53.31 18.8 7.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 33.8 m170 -100.26 167.32 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.569 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -69.79 119.7 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -55.04 5.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.6 p -56.81 -53.29 59.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.86 126.85 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 t -116.83 136.14 23.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.526 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 150.11 37.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.31 129.73 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.84 -19.9 34.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.75 167.05 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.99 165.16 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.442 HG22 ' CD ' ' A' ' 97' ' ' ARG . 6.8 mt -113.44 155.29 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.378 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -150.04 125.84 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mt -97.89 129.14 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -134.74 139.67 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -122.35 109.97 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.1 mtp -131.27 34.62 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 77.67 -132.07 11.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 1.9 t -40.53 112.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.6 p90 -83.78 -2.58 56.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.64 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.0 m0 -70.42 -60.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.93 -43.02 18.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 57.2 t -52.86 -52.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -60.16 -41.72 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -61.33 -37.11 82.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD11 ' OD1' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -68.56 -34.51 75.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.11 -33.24 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.61 ' CZ2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.51 -37.0 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -77.83 -8.4 57.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' HG11 ' A' ' 113' ' ' VAL . 2.3 mt -68.95 134.91 89.72 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.97 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.55 -7.34 11.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -86.68 119.81 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.24 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 5.7 t80 -72.33 -46.17 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -165.15 167.52 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.1 p -139.54 164.77 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -154.72 137.06 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.17 23.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 179' ' ' PHE . . . -170.8 -171.51 36.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 20.7 m-85 -136.72 144.66 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 3.1 t -170.61 177.91 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 103.71 -16.48 51.4 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.588 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -90.96 -157.71 33.98 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -116.15 -40.95 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.465 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 96.0 m -49.61 119.37 9.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.34 16.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 47.33 63.94 9.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.075 . . . . 0.0 109.232 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.04 169.9 21.58 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 m -116.44 152.9 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -45.43 52.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -43.68 98.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -62.75 -47.29 84.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.33 -36.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.6 t -57.3 -38.24 73.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -66.58 -45.62 78.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.72 19.63 26.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -98.41 15.35 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -112.08 -35.03 5.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.49 69.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.588 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.1 m-70 -67.85 148.82 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.678 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.27 168.84 10.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 31.3 mt-10 -75.06 116.18 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.74 157.06 47.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 91.1 t -140.45 141.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.09 121.34 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.8 t -108.78 114.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -133.84 165.88 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.35 136.11 20.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 0.98 8.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -27.66 19.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.3 t -106.11 -61.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.5 tt -109.56 160.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 p -121.46 141.21 51.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.556 ' CE2' HD13 ' A' ' 111' ' ' LEU . 48.0 t80 -44.99 -35.78 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.91 -42.23 93.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 113' ' ' VAL . 62.5 mt -66.0 -34.38 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 107' ' ' TYR . 17.0 mt -76.12 -30.44 58.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -55.29 21.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 114' ' ' PHE . 3.5 p -54.5 -42.6 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.476 ' N ' HG13 ' A' ' 113' ' ' VAL . 25.7 t80 -46.61 -56.43 6.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.805 ' CZ2' ' CD2' ' A' ' 156' ' ' PHE . 11.0 m0 -57.46 -28.64 63.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.7 tt0 -91.16 6.85 43.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' A' ' 58' ' ' LEU . 28.6 m120 -113.07 -40.24 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -169.61 169.53 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.387 1.055 . . . . 0.0 109.574 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 121' ' ' ALA . 12.8 t70 -102.44 141.72 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.576 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.99 28.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -140.11 49.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -104.03 -1.52 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.77 -156.23 43.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.428 1.08 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 ptp -90.16 63.63 5.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.73 145.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.625 1.203 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 30.3 tt0 -128.35 116.4 19.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.81 -123.2 23.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -85.72 8.9 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 9.0 m-20 -102.91 125.81 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -119.79 138.35 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.576 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.41 165.15 14.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 81.4 p -85.61 -0.2 54.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.741 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.405 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 5.7 mp0 -92.85 -7.33 46.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 57.6 m-85 -103.69 37.44 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 148.77 23.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.7 p -96.06 137.43 35.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -168.49 147.37 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.478 ' HB ' ' CD1' ' A' ' 173' ' ' ILE . 26.4 mt -110.58 124.8 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.77 89.52 38.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -118.69 -38.25 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 p -98.62 165.56 14.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.38 4.59 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.23 -30.33 70.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 78.5 mt-30 -73.76 -40.56 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.41 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.13 -41.67 66.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.46 -54.37 46.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.55 -43.22 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 156' ' ' PHE . 1.4 p -70.89 -35.68 72.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.465 HD12 ' CG2' ' A' ' 171' ' ' THR . 8.8 tt -57.28 -50.96 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.97 -35.5 76.93 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -26.0 53.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.805 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -68.77 -44.5 73.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -34.28 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.63 -41.13 24.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.91 -56.21 23.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 3.8 ptt? -62.87 -35.55 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.15 -44.83 92.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.22 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.5 9.46 23.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.48 28.06 3.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.41 99.87 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.45 18.52 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.433 ' O ' ' CE ' ' A' ' 160' ' ' MET . 24.1 mtt180 -52.77 163.64 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -100.42 131.46 46.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.404 ' CG2' HG22 ' A' ' 171' ' ' THR . 51.0 mt -67.89 94.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 18.2 p -71.6 -9.46 58.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -69.97 149.03 48.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.88 144.24 51.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 138' ' ' ILE . 24.9 mm -109.74 130.45 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -153.77 159.21 41.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.97 158.78 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -65.95 118.79 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 21.9 p -97.94 163.15 20.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 85.83 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -81.97 151.91 26.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 180' ' ' TYR . 0.3 OUTLIER -101.48 130.18 47.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -59.56 127.08 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -68.51 170.0 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.1 161.56 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.01 -37.37 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -34.03 69.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -83.52 -41.98 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.81 122.83 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 47.59 53.64 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 64.0 t80 -62.79 -53.21 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.067 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.41 HD12 ' CZ ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -47.67 -27.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.416 ' ND1' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -72.8 -40.4 65.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.574 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 189' ' ' TYR . 12.3 tttt -71.73 -34.7 69.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.84 97.66 32.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -15.44 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -95.29 -4.48 45.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -56.26 -162.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.409 0.711 . . . . 0.0 110.986 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.491 0.186 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 145.27 31.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.83 128.27 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 155.15 13.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -72.17 -34.3 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -127.44 176.83 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.452 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 56.7 t-80 -72.36 166.44 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.638 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -74.04 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.8 t -90.75 -51.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.452 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 58.66 13.04 16.04 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.055 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -101.0 -176.07 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 0.737 . . . . 0.0 109.62 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -52.73 119.84 5.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -54.75 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -79.74 -52.92 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -49.69 126.08 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.55 135.32 20.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.07 139.07 23.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.96 131.73 50.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.58 -1.08 56.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 mtt -112.42 161.22 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -134.85 165.92 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CG2' ' HG3' ' A' ' 97' ' ' ARG . 4.2 mt -106.51 155.09 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.32 124.36 21.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.8 mt -109.42 124.83 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 138' ' ' ILE . 31.4 m-85 -143.36 153.64 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.12 110.43 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -128.5 35.38 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.42 -137.31 16.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 24.8 p -45.1 109.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 5.3 p90 -82.23 -1.64 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 8.0 m0 -71.82 -54.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.0 -42.46 19.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.594 1.184 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 90.6 t -51.08 -55.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.0 pt-20 -60.95 -40.15 92.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -64.33 -32.63 74.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.29 -34.19 25.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.0 m-30 -66.07 -56.22 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -62.64 -19.86 64.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -2.78 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 113' ' ' VAL . 3.6 mt -98.42 144.57 28.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 138.69 -17.88 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 75.0 t -85.28 109.32 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -75.59 -50.41 15.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.61 159.36 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.465 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 60.5 p -143.06 151.42 40.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -144.04 149.59 36.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.35 147.62 31.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.72 -175.34 43.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 180' ' ' TYR . 10.6 m-85 -125.39 154.75 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.401 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 1.3 t -170.12 166.17 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.89 -19.75 43.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.557 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.42 -170.12 46.2 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -110.71 -32.2 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 12.0 m -57.47 119.58 33.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.57 16.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.417 1.746 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.2 m120 44.23 63.89 7.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.98 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -114.18 169.97 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.54 -49.85 73.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -36.8 73.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.64 -49.58 65.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.57 -45.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -51.71 -33.14 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 108.262 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -48.77 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.83 9.08 53.36 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.5 25.62 5.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -115.24 -33.54 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.65 2.97 90.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.557 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 71.6 m-70 -86.27 146.85 26.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.69 154.61 28.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 52.1 mt-10 -70.16 114.53 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.75 168.86 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 16.7 t -145.09 136.33 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.382 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' C ' ' CD1' ' A' ' 98' ' ' ILE . 5.2 ttm180 -95.62 115.08 26.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -109.82 141.07 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' TYR . 5.2 t -123.74 114.03 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.711 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.6 p90 -136.97 165.64 25.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -101.34 136.81 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.65 18.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.591 1.838 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -13.16 38.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -112.22 -62.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.464 HD12 ' CD2' ' A' ' 110' ' ' LEU . 10.6 tt -112.42 160.29 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 p -115.56 170.81 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 40.0 p90 -72.54 -45.98 56.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.629 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 5.9 pt-20 -55.46 -30.34 60.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.711 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 86.6 mt -73.68 -39.27 64.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -68.13 -37.78 81.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -66.38 -47.49 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -57.31 -35.57 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.567 ' CE1' ' CE1' ' A' ' 59' ' ' PHE . 18.3 m-30 -66.13 -57.77 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 9.8 m95 -63.84 -19.1 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -93.18 -9.34 39.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -110.89 -23.47 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' CE1' ' OE1' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -156.95 170.24 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.627 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.87 141.4 22.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -75.06 0.51 8.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.84 49.89 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.458 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 18.3 tp60 -102.88 15.19 30.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 170' ' ' THR . . . 38.14 -157.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.96 66.15 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.57 158.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 49' ' ' MET . 2.1 tt0 -143.62 119.21 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.16 -123.54 21.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.59 13.46 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 32.9 m-20 -109.23 124.57 51.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -119.06 144.22 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.168 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 170.09 17.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 18.8 m -85.76 0.2 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.413 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -93.16 -10.56 35.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 47.9 m-85 -107.75 38.5 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -89.28 166.98 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.9 m -106.58 129.12 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.41 157.65 32.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.572 HG22 ' CE2' ' A' ' 47' ' ' PHE . 69.4 mt -130.54 133.39 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.1 87.78 50.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.46 16.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.96 -32.42 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.0 p -98.89 160.6 27.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.32 10.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.03 -35.11 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.14 -40.85 90.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.401 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.5 OUTLIER -61.7 -51.88 66.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.3 -36.73 71.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.83 -41.2 62.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.68 40.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 1.8 ppt_? -64.79 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.0 83.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 156' ' ' PHE . 7.2 p -58.01 -42.23 84.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.63 -48.68 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.96 -37.29 86.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -74.06 -35.55 64.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 152' ' ' SER . 87.7 t80 -71.88 -37.02 70.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.11 -39.45 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.78 51.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.95 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.402 ' CG ' ' CE2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.83 -37.95 83.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.09 -15.84 63.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.94 -3.4 21.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 73.31 45.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -118.47 94.82 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 7.74 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 160.54 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -94.77 131.98 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 64.4 mt -76.95 111.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 123' ' ' GLY . 3.8 t -81.81 -28.78 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.8 m -40.78 124.09 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.1 122.3 35.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 12.9 mt -97.27 135.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -158.57 155.35 28.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 176' ' ' ALA . 34.7 t-20 -49.55 143.05 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 175' ' ' ASN . . . -58.89 139.13 56.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 165.23 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.477 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 23.9 p90 -76.57 149.66 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -101.97 129.1 48.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.477 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 4.0 m-85 -61.9 141.31 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.75 168.19 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.22 147.33 7.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.73 -32.95 67.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -22.54 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -93.8 -38.19 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.611 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.49 121.03 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 29' ' ' ALA . 9.2 mp0 51.87 45.7 27.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 38.8 t80 -64.88 -52.54 55.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -20.91 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.29 -45.43 39.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -65.75 -39.41 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.16 105.0 53.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -23.18 14.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -109.52 25.68 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.76 -169.75 41.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.483 0.182 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.76 35.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.43 145.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.91 152.99 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.375 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 -45.08 57.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.84 157.75 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.2 t-80 -60.35 170.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.621 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' HIS . . . -72.32 -65.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.68 -52.65 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 72.0 m-80 -56.94 -25.89 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.18 24.87 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -100.52 170.48 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.586 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -39.6 121.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 tpt -78.31 -50.69 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -94.83 -52.7 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -52.99 121.3 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 53.1 t -101.28 136.28 19.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.02 143.45 29.02 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.06 125.91 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.93 6.7 45.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.7 mtt -122.15 165.31 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -143.14 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -107.83 146.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -129.07 124.22 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 3.2 mt -108.68 127.2 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 46' ' ' ILE . 35.3 m-85 -146.26 153.66 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.98 109.79 12.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.3 50.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.32 -136.17 32.05 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 2.6 t -40.88 109.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 31.1 p90 -81.31 -20.44 40.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.594 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 13.6 m0 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.02 -48.51 8.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 59' ' ' PHE . 81.3 t -51.91 -57.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' CE3' ' A' ' 60' ' ' TRP . 7.6 pt-20 -54.42 -37.65 65.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.656 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 7.6 ttt180 -61.55 -57.37 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -34.58 78.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.746 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 3.5 m-85 -66.5 -45.96 77.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.656 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -76.29 -29.34 57.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 108.049 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.09 0.1 22.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -81.45 139.55 48.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.91 107.81 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.69 -13.79 3.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 98' ' ' ILE . 46.3 t -90.08 120.8 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -80.16 -45.63 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.4 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 m -145.48 159.43 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 98' ' ' ILE . 88.7 m -147.43 145.63 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.22 160.16 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -117.34 149.6 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 97' ' ' ARG . . . -172.2 -163.64 26.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -134.83 152.83 52.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.458 0.74 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.421 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.8 t -169.96 170.16 7.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.44 45.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.91 -176.64 47.94 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -106.84 -31.1 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 6.9 m -56.04 116.19 11.75 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.29 15.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' OD1' ' CE2' ' A' ' 180' ' ' TYR . 5.9 m120 52.24 63.01 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.99 169.87 21.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 p -124.98 158.69 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -55.16 -44.11 74.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -62.23 -50.03 73.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 27.8 mt-10 -59.84 -48.81 80.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 53.7 t -59.37 -42.53 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.66 -43.93 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.76 71.64 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.25 21.97 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.44 20.81 13.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 0.784 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 48.4 p -117.25 -35.08 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.97 8.73 87.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 44.9 m-70 -86.08 148.39 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 153.74 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.5 tp10 -70.52 114.84 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.02 163.8 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -146.58 129.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 179' ' ' PHE . 5.9 ptp180 -90.37 115.61 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 68' ' ' THR . 2.6 mp -104.16 130.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' TYR . 15.6 t -105.74 114.03 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 3.9 p90 -139.57 165.67 26.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -103.76 137.39 19.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 -11.09 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.34 -52.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.586 HG22 ' CD1' ' A' ' 100' ' ' TYR . 1.2 tp -115.14 147.62 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -111.3 147.39 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.604 ' CE1' ' OH ' ' A' ' 100' ' ' TYR . 9.8 m-85 -48.38 -48.64 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.47 -44.41 45.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -61.85 -49.53 75.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.656 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.7 mt -59.84 -35.67 75.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.69 -49.07 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.96 -46.14 82.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' ' 114' ' ' PHE . 0.4 OUTLIER -55.62 -47.08 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.746 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 17.0 m-30 -66.9 -55.07 16.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 46.6 m95 -48.65 -24.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.06 -30.23 14.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' PHE . 10.0 m-80 -107.64 34.35 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -170.44 158.17 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.1 OUTLIER -112.51 133.52 21.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.32 49.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -92.19 -18.03 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.6 -166.14 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.404 1.065 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.38 62.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 179.45 163.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.06 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 1.6 tt0 -149.64 124.62 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.54 -124.19 21.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -91.58 11.61 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.56 118.1 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -113.16 152.94 29.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.704 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.74 166.03 11.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.6 m -82.12 -0.02 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.471 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -91.82 -17.45 25.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.62 37.53 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -70.72 175.47 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.238 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -130.95 113.6 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.55 168.84 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.69 128.17 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -116.09 84.41 13.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.15 23.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.14 -38.17 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 67.3 p -96.19 161.55 26.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . 0.461 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 18.3 Cg_endo -75.08 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -78.26 -29.82 48.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.564 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 54.6 tt0 -65.49 -59.8 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -52.87 -44.2 66.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.86 76.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.52 62.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.8 76.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -64.97 -45.48 85.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.58 77.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 p -57.23 -45.26 84.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.57 -48.02 81.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -55.97 -38.22 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.62 32.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -58.55 -30.6 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -52.06 -32.61 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.34 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.66 -34.07 61.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.82 74.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -56.84 -42.86 80.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.54 -19.54 49.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.38 17.35 14.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.3 t0 57.91 21.56 7.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.19 102.11 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.81 8.16 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -56.85 153.68 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -88.7 123.17 32.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.516 ' CG2' ' CG2' ' A' ' 171' ' ' THR . 54.8 mt -60.88 125.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.8 p -95.97 -33.57 12.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.418 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.516 ' CG2' ' CG2' ' A' ' 169' ' ' ILE . 1.7 t -48.09 125.05 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.32 149.7 50.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.37 117.32 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -128.36 156.88 42.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.64 153.83 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -72.24 120.16 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.53 167.85 16.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 74.52 4.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 97' ' ' ARG . 7.5 p90 -61.71 150.32 37.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.478 ' CE2' ' OD1' ' A' ' 79' ' ' ASN . 32.4 m-85 -115.35 135.8 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.564 ' CD2' ' NH1' ' A' ' 97' ' ' ARG . 2.1 m-85 -59.69 131.99 52.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.85 169.81 14.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 155.7 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.18 -38.87 91.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.48 -37.02 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -82.28 -48.78 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.13 125.26 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 50.82 51.39 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 51.3 t80 -66.74 -50.77 61.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 53' ' ' TRP . 1.2 mm? -53.82 -20.93 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -44.43 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.653 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.89 64.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.55 99.22 8.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.17 16.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -96.98 -3.25 41.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.35 -167.64 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.52 0.2 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.45 39.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.33 133.73 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.74 150.88 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 m -75.39 -36.66 60.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -126.83 174.15 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.472 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.5 t-80 -78.65 167.14 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -71.94 -65.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -89.83 -48.65 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.472 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.6 t30 -57.11 -34.13 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 60.99 9.88 16.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' HIS . 58.3 m170 -101.59 170.21 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -68.15 119.01 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ptm -80.9 -29.77 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.7 p -70.12 -43.27 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.95 119.84 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.2 t -110.53 132.07 21.74 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 148.57 35.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.77 136.31 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.35 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.534 ' HE1' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -99.03 167.82 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 167.85 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.56 151.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 109.244 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.92 124.65 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' TYR . 55.3 mt -113.66 123.49 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.807 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.7 p90 -152.08 154.95 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.72 131.08 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -142.8 16.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.84 -146.32 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.4 p -40.76 109.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 33.3 p90 -81.45 3.79 23.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 50.3 m0 -73.18 -61.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.11 -31.31 53.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 52' ' ' PHE . 76.0 t -67.1 -58.21 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.0 tt0 -55.96 -56.28 22.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.623 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.28 -23.98 17.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -82.84 -32.78 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 2.7 m-85 -72.18 -57.51 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.623 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -59.77 -19.05 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 107.976 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.29 -23.16 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' HG13 ' A' ' 113' ' ' VAL . 2.9 mt -74.98 141.32 74.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 105.82 2.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.5 3.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -87.89 111.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 2.2 t80 -69.7 -55.0 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -156.86 163.26 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -142.4 170.05 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' CG ' ' A' ' 97' ' ' ARG . . . -149.95 160.48 43.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.39 147.74 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -176.81 44.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -132.98 146.49 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' A' ' 177' ' ' THR . 11.4 t -169.61 179.56 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 -26.33 24.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.35 -173.05 49.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -102.03 -30.94 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.536 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 2.4 m -49.7 116.12 5.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.439 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-20 59.84 63.0 3.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.556 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 170.07 21.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -122.69 149.91 43.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -37.58 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -58.83 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -67.08 -43.25 83.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 4.8 t -52.22 -40.66 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.17 -37.34 64.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 108.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -62.48 -44.76 95.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.57 29.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -97.83 12.92 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.456 ' HB ' ' CB ' ' A' ' 77' ' ' THR . 7.8 p -113.22 -19.76 11.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.86 1.47 89.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.0 m-70 -81.52 143.88 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.54 160.66 20.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.3 tm-20 -70.01 119.08 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.35 159.0 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.76 129.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.452 ' NH2' ' OH ' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -92.44 114.95 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp -103.78 130.63 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 66' ' ' TYR . 19.7 t -108.88 115.27 49.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.525 ' CD1' HD13 ' A' ' 110' ' ' LEU . 45.6 p90 -138.87 164.75 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.062 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.12 137.4 20.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.74 21.39 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -24.4 22.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -99.9 -48.56 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 8.2 tt -131.97 140.84 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 p -95.31 145.13 25.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.5 p90 -53.46 -28.67 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.611 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -62.64 -46.01 90.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -57.57 -33.26 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 100' ' ' TYR . 68.9 mt -71.51 -42.02 68.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 63.4 mt -66.95 -46.91 73.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.2 mm-40 -60.29 -45.35 93.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 62' ' ' LEU . 1.3 t -58.29 -44.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 8.1 t80 -56.84 -43.03 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 22.1 m95 -80.22 -19.43 46.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -90.09 -10.3 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.9 m120 -118.54 -2.71 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.94 170.44 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.08 154.11 40.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.5 Cg_endo -74.95 0.02 9.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.6 49.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 125' ' ' ARG . 3.4 tt0 -74.77 -19.18 60.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.88 177.12 13.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 ptm -79.73 62.78 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 179.88 152.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -145.9 120.58 9.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.68 -119.0 6.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.587 1.179 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.63 17.4 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 7.3 m-20 -113.03 121.05 43.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -119.93 138.95 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.57 177.47 23.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.9 p -86.76 1.0 53.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.395 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.472 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -91.23 -2.53 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.238 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 90.2 m-85 -124.24 58.05 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.421 ' CZ ' ' OE2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -113.07 -166.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.3 m -121.5 133.21 55.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -164.18 153.16 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.567 HD13 ' CZ2' ' A' ' 115' ' ' TRP . 65.2 mt -131.76 139.8 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . 56.4 m-85 -135.26 88.57 25.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.12 162.76 36.31 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.441 1.759 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.2 -17.94 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.5 p -115.42 166.79 11.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.25 -36.21 82.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.467 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 41.8 tt0 -75.31 -28.69 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.87 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.84 -44.15 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -56.74 -46.62 81.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.24 49.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -60.16 -43.88 95.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.86 -48.31 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.456 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 18.0 p -65.39 -29.62 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.68 -52.02 42.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.23 -34.23 77.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -74.05 -29.8 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.91 -36.83 50.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.0 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.03 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.13 86.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.67 -43.61 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.6 -15.94 59.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.69 19.35 11.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.32 24.02 14.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.58 97.72 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.07 14.44 10.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.91 163.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -98.53 129.58 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.46 ' CG2' ' HB ' ' A' ' 171' ' ' THR . 16.1 mt -63.0 118.8 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.9 t -89.88 1.87 55.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 169' ' ' ILE . 3.1 m -70.71 122.42 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' CZ ' ' A' ' 135' ' ' ARG . 9.3 pt-20 -113.28 115.43 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 97.7 mt -94.8 128.77 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.22 153.31 27.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -46.59 158.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -75.98 127.05 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' A' ' 73' ' ' THR . 1.2 p -101.56 170.24 6.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 72.81 4.56 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 2.8 p90 -64.57 150.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.4 127.9 45.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -66.47 139.5 57.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -84.21 163.7 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.2 162.24 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.88 -30.26 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -28.16 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -95.34 -49.35 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.05 131.39 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.406 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 4.4 mp0 54.81 46.33 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.578 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 28.6 t80 -63.19 -54.09 42.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -27.03 14.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -35.94 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -121.14 94.17 48.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.42 21.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -100.14 6.66 44.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -71.21 -160.53 3.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 197' ' ' TYR . 5.2 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.545 0.212 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.14 42.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.7 t -120.44 146.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 151.56 22.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 m -81.86 -31.68 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -139.69 159.83 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.4 t-80 -58.55 168.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.551 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' CD2' ' A' ' 191' ' ' HIS . 15.7 t -90.79 -47.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.48 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.57 -31.92 68.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 52.15 21.98 9.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.35 169.29 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.1 p -52.79 119.43 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.3 mmm -80.87 -55.49 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -69.0 -54.59 14.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.65 127.29 30.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.1 t -104.0 136.92 19.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.98 145.72 31.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -67.8 140.97 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.61 -10.3 75.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.535 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -107.35 166.88 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 110.977 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.65 164.65 31.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.075 . . . . 0.0 110.288 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.4 150.71 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -136.71 125.1 23.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.9 mt -102.58 129.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 23.6 m-85 -145.31 140.04 27.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.59 109.81 21.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -124.41 5.17 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 89.74 -132.32 11.2 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 3.2 t -40.34 109.86 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 55.2 p90 -83.89 -1.82 55.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 38.1 m0 -71.46 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.032 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -77.45 -38.97 27.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 70.1 t -58.36 -56.78 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 43.1 tt0 -57.84 -34.35 69.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.736 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -59.53 -57.02 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -31.73 71.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD2' ' CD1' ' A' ' 98' ' ' ILE . 8.6 m-30 -72.3 -54.17 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.736 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.72 -37.4 86.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -77.5 0.33 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -80.58 138.74 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.04 111.02 3.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.78 -5.85 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.54 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 1.5 t80 -71.18 -42.91 68.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -168.28 162.02 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.1 p -139.2 169.2 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.17 157.68 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -119.62 144.99 46.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.84 -165.03 31.66 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -129.25 153.07 48.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.407 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -170.29 167.42 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.7 -29.08 13.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.462 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.18 -176.03 47.97 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -104.68 -38.51 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 31.4 m -51.02 118.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.75 37.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.432 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 10.9 m-80 49.77 63.79 9.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -75.04 150.65 38.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -124.17 163.92 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.12 -50.35 71.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -61.29 -30.54 70.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 0.8 OUTLIER -69.14 -49.76 54.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.01 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -49.89 -40.24 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -70.14 -34.41 73.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.058 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.52 20.09 72.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.1 23.69 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 60.3 p -117.05 -35.2 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.28 -1.75 82.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.462 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 58.3 m-70 -77.85 150.3 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.51 168.51 9.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 115.36 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.21 155.18 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.41 151.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.538 ' HD3' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 2.5 mp -118.03 123.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.7 t -105.82 115.75 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.397 1.06 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 110' ' ' LEU . 15.5 p90 -134.56 163.42 29.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.188 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 105' ' ' ILE . 2.5 t0 -106.12 138.11 19.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -7.78 19.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 t -90.16 -25.58 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.18 -61.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 101' ' ' ASP . 15.9 tt -118.42 162.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -115.74 159.86 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 3.7 p90 -60.43 -39.06 86.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -60.89 -37.16 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.84 -46.13 88.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 100' ' ' TYR . 33.0 mt -56.53 -45.38 81.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.8 mt -57.01 -42.62 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.64 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 62' ' ' LEU . 6.9 t -54.04 -52.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 m-30 -68.28 -45.15 73.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -41.62 -29.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' PHE . 21.1 mt-10 -104.69 -43.15 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.475 ' O ' ' CE ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -91.74 36.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -170.16 162.28 8.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.9 t70 -132.01 125.79 20.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.164 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.783 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.29 50.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.75 -20.08 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.49 -150.15 39.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.391 1.057 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.4 ptm -84.99 45.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -153.4 150.3 28.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 134' ' ' TYR . 10.2 tp-100 -128.64 118.65 23.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.09 -114.69 7.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.397 1.061 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.51 19.85 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.21 160.31 19.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -118.55 152.22 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.39 141.69 3.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.3 p -72.74 -13.03 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -93.57 -5.11 49.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.467 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 4.0 m-30 -97.94 37.62 1.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -88.05 -174.23 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.2 m -120.07 125.65 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.83 149.74 20.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 47' ' ' PHE . 56.4 mt -118.28 138.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.38 86.88 44.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.447 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.4 Cg_endo -75.09 173.01 15.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.02 -22.45 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -112.95 163.78 17.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.51 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.8 -32.07 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 59.5 tt0 -74.99 -34.13 61.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -47.35 63.34 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -55.86 -42.53 75.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.07 65.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.21 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.74 -35.58 81.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -62.97 -43.54 98.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.7 p -61.47 -34.51 75.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 171' ' ' THR . 7.0 tt -57.61 -51.0 71.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.57 -33.99 77.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -25.75 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -73.98 -43.12 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 111.05 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -35.57 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.21 -45.62 17.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.15 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.48 91.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.43 -37.96 85.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.49 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.6 22.84 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.87 31.83 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.12 100.34 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.58 13.87 12.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -53.68 144.24 18.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -76.8 130.8 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.88 125.39 22.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 171' ' ' THR . 10.8 t -103.67 -23.78 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.41 ' CG2' ' HG ' ' A' ' 153' ' ' LEU . 8.9 t -50.05 132.63 23.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 139.95 51.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.22 138.65 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.38 145.17 22.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.12 150.4 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.97 128.95 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -104.8 171.3 5.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.11 5.37 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.412 1.743 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.538 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 37.2 p90 -60.9 149.97 34.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -108.24 129.07 55.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -61.55 141.31 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.91 170.21 10.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.2 tt0 -52.04 150.63 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -44.21 76.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -27.38 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 17.3 m-70 -92.99 -45.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.514 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 2.7 mt-30 -50.01 125.53 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.43 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 7.0 mp0 58.27 48.56 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 81.1 t80 -62.04 -54.74 37.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -48.97 -24.84 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.43 -37.89 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 189' ' ' TYR . 1.8 tppp? -77.78 -32.12 52.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 102.61 34.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.36 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -106.09 24.59 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -85.19 -170.06 46.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 111.032 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.56 0.219 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.93 40.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 181' ' ' TYR . 74.9 t -104.83 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 161.38 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -75.48 -43.79 47.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -134.84 152.59 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 61.5 t-80 -59.7 169.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.45 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.41 -53.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 14.6 m120 -56.96 -25.87 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 49.18 20.68 2.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 24.2 m170 -100.74 158.03 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m -53.95 124.44 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.538 ' CE ' ' CB ' ' A' ' 69' ' ' ALA . 5.1 mmm -76.68 -46.33 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -80.09 -53.67 6.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.1 133.22 55.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 t -129.65 131.12 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 148.57 35.35 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.428 1.752 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 129.78 42.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.87 -11.54 52.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 100' ' ' TYR . 24.7 tpp -95.88 156.2 16.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.07 164.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.93 149.31 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.366 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -132.7 125.0 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' CD1' ' CE1' ' A' ' 179' ' ' PHE . 4.3 mt -99.35 125.03 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -140.03 144.67 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -118.19 118.59 32.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtp -137.36 28.56 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.52 -135.51 14.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -42.03 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p90 -80.85 -1.34 42.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.63 ' CZ2' ' CE2' ' A' ' 189' ' ' TYR . 51.4 m0 -70.6 -60.32 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.029 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.54 -42.86 20.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.567 1.167 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 HG13 ' CE2' ' A' ' 59' ' ' PHE . 75.9 t -54.32 -53.35 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 9.3 tt0 -62.36 -33.95 75.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.602 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -61.27 -56.56 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -32.55 68.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 98' ' ' ILE . 2.1 m-85 -67.54 -55.57 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.602 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.24 -17.32 63.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -7.03 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.8 mt -85.55 137.74 36.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 109.79 2.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 133.45 -8.98 5.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 72.4 t -91.71 115.54 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.473 ' C ' ' CG2' ' A' ' 68' ' ' THR . 4.6 m -173.87 157.72 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 2.0 p -152.11 155.09 37.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.538 ' CB ' ' CE ' ' A' ' 35' ' ' MET . . . -146.23 145.63 30.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' N ' ' OE1' ' A' ' 187' ' ' GLN . . . -78.8 146.55 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 181' ' ' TYR . . . -157.73 179.89 33.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.4 ' CZ ' ' CB ' ' A' ' 180' ' ' TYR . 19.8 p90 -122.71 153.56 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -170.19 164.55 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.83 -16.79 57.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -94.62 -177.71 38.34 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -114.83 -29.53 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 89.5 m -49.84 124.07 15.87 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.96 126.64 10.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.9 m120 39.83 62.87 5.28 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.09 169.96 21.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 m -104.41 150.46 24.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.69 -45.77 70.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -35.88 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 10.4 mt-10 -69.4 -50.33 46.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.232 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -46.0 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 t -50.04 -37.88 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -69.84 -47.18 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.87 24.79 12.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.5 12.33 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 40.2 p -111.93 -34.92 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.14 -0.51 69.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 81.3 m-70 -78.67 150.27 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 0.787 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.38 168.16 12.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -72.59 134.7 45.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.53 150.27 23.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 16.1 m -138.07 131.72 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -88.52 122.51 32.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.569 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.4 mp -109.02 127.04 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.6 t -104.82 113.95 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.55 ' CD2' HD13 ' A' ' 110' ' ' LEU . 22.5 p90 -134.13 165.52 24.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.45 138.84 20.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.61 21.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -90.13 -10.42 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 47.3 t -114.0 -64.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.7 tt -113.96 163.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -112.72 163.59 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 145' ' ' GLN . 20.8 t80 -66.96 -45.27 78.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -39.88 50.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -59.02 -38.81 80.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.55 HD13 ' CD2' ' A' ' 100' ' ' TYR . 77.5 mt -72.67 -52.69 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -58.47 -33.66 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.596 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.8 tt0 -63.81 -56.1 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.556 ' O ' ' CB ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -61.07 -32.14 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' LEU . 8.7 t80 -48.2 -53.66 16.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 15.0 p-90 -95.52 -30.67 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 33.7 tt0 -72.5 -4.47 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -132.63 10.75 4.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' TRP . 4.9 t-160 -170.03 153.12 4.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 122' ' ' GLN . 1.9 p-10 -96.65 117.17 66.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.0 49.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.428 ' CB ' ' OD1' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -100.43 -12.55 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.07 -166.92 54.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.4 mtt -71.32 62.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -176.9 155.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -136.62 130.1 31.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.64 -117.06 6.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.53 11.5 34.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.502 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 14.2 m-20 -108.82 140.4 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -118.56 153.37 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.663 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.63 161.67 9.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.2 p -82.07 -1.9 50.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -92.74 -23.55 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 29.6 m-85 -89.58 35.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 147.68 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -84.66 133.96 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.76 147.27 24.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 111' ' ' LEU . 13.6 mt -113.8 125.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -119.98 87.23 38.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.61 11.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.59 1.837 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -120.48 -48.53 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 2.0 p -90.6 167.99 15.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -29.34 8.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.4 -30.33 68.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 87.9 mt-30 -71.85 -48.14 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 142' ' ' THR . 1.7 m-20 -53.16 -48.59 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.0 74.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.5 -38.88 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.06 71.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -64.4 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.447 ' HB3' ' NE1' ' A' ' 115' ' ' TRP . 31.5 m -56.67 -46.88 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.63 -50.94 70.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.27 -39.92 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -47.91 27.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 160' ' ' MET . 32.2 t80 -61.91 -33.14 73.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.59 -37.74 58.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.74 -43.53 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.81 77.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.558 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 8.7 mtp -56.33 -49.32 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.16 -36.63 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.28 -21.74 66.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -99.18 26.62 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.5 32.45 19.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -117.2 97.04 5.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.96 11.29 18.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.71 160.93 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.99 138.89 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.3 mt -66.29 113.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -24.0 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.63 123.7 12.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -117.13 118.3 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.83 120.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.47 39.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -47.96 155.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -83.18 130.1 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.521 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.3 OUTLIER -99.94 -176.5 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.97 56.48 4.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.037 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CE1' ' CD1' ' A' ' 46' ' ' ILE . 23.2 p90 -61.03 150.48 33.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.4 ' CB ' ' CZ ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -124.04 137.55 54.57 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -76.73 152.34 35.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.462 ' O ' ' CE2' ' A' ' 181' ' ' TYR . . . -79.16 170.1 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 152.45 19.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . 0.478 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 0.8 OUTLIER -53.36 -29.92 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -45.86 68.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.31 -32.44 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.633 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 83.8 mm-40 -49.76 135.7 18.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 187' ' ' GLN . 7.4 mp0 42.24 51.52 4.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.224 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.63 ' CE2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 t80 -64.72 -49.01 72.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -23.11 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -77.16 -49.86 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.51 57.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.12 96.45 12.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.17 21.4 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -109.6 13.27 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -61.62 -150.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 197' ' ' TYR . 3.0 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.568 0.223 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.91 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.13 145.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 150.38 40.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.4 m -75.78 -39.03 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -128.03 -175.22 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' HIS . 58.9 t-80 -86.77 168.59 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' N ' ' ND1' ' A' ' 28' ' ' HIS . . . -71.5 -65.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.6 t -90.72 -47.47 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.436 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.4 t30 -58.28 -33.54 69.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 58.23 14.42 18.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' HIS . 57.1 m170 -100.84 168.4 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.21 119.44 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ptp -80.4 -15.45 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -84.96 -50.4 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.73 134.46 48.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 t -114.78 128.23 26.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.64 31.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.759 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.06 125.62 24.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.33 -13.73 56.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.451 ' CG ' HG13 ' A' ' 99' ' ' VAL . 25.5 tpp -86.34 152.78 22.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.737 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.28 162.54 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.415 HG23 ' NE ' ' A' ' 97' ' ' ARG . 5.8 mt -112.43 154.58 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . . . -145.08 125.12 13.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 139' ' ' TYR . 55.5 mt -110.86 130.47 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 114' ' ' PHE . 52.0 m-85 -147.54 147.81 30.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -111.9 124.89 53.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -141.86 17.73 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 91.21 -140.48 15.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLY . 29.8 p -40.81 111.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 39.3 p90 -76.96 -5.75 49.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.802 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 21.5 m0 -71.86 -57.42 4.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -76.3 -34.75 44.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 59' ' ' PHE . 54.8 t -66.14 -49.88 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HE2' ' N ' ' A' ' 69' ' ' ALA . 31.3 tt0 -71.94 -20.71 61.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 3.2 ttt-85 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.2 pp -73.82 -39.04 64.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 55' ' ' VAL . 10.4 m-30 -54.79 -52.23 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.585 ' CH2' ' HA ' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -58.75 -53.47 58.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.506 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 36.8 mt-30 -69.67 -2.68 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 105' ' ' ILE . 2.1 tt -67.14 134.28 93.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 107.32 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 121.8 -3.07 10.92 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.6 t -97.51 116.33 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -73.69 -49.77 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 m -151.27 166.77 29.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -139.98 167.24 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.473 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' N ' ' HE2' ' A' ' 56' ' ' GLU . . . -155.43 154.39 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -116.31 142.63 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -166.99 -168.91 29.88 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 23.2 m-85 -141.16 149.49 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.439 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 4.6 t -169.86 176.33 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.14 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.573 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.52 -167.08 17.32 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -113.4 -46.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 27.4 m -49.84 121.29 12.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 142.48 27.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 16.3 m120 46.36 64.36 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.06 169.94 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.0 m -124.71 157.69 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.63 -49.84 61.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -57.21 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.84 -46.02 67.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 83.9 t -66.0 -37.22 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -39.53 63.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 108.372 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 m -67.82 -38.5 83.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 22.8 42.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 9.5 42.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -100.9 -27.73 13.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.425 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 94.53 -11.66 69.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.573 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 62.4 m-70 -79.16 147.96 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.37 171.52 7.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -76.34 114.75 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.252 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.61 49.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG11 ' CB ' ' A' ' 52' ' ' PHE . 3.7 m -142.43 145.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' NE ' HG23 ' A' ' 44' ' ' ILE . 4.6 mtt180 -94.55 125.66 39.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.57 133.82 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.451 HG13 ' CG ' ' A' ' 42' ' ' MET . 46.2 t -109.97 114.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 3.0 p90 -138.9 164.52 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.381 1.051 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.57 138.94 20.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 -18.88 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 52.9 t -103.04 -57.69 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 14.5 tt -120.04 161.66 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -111.1 158.86 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 13.6 p90 -65.2 -33.74 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.608 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 13.7 pt-20 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 77.1 mt-30 -57.45 -43.14 83.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.45 -49.89 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 12.7 mt -54.77 -48.73 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -35.02 79.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 114' ' ' PHE . 1.2 t -58.68 -37.5 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 9.4 m-85 -69.73 -46.07 66.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 5.5 m95 -69.78 -19.93 63.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.95 -9.31 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -114.14 -11.99 12.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.6 OUTLIER -168.14 170.22 10.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.507 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 121' ' ' ALA . 0.8 OUTLIER -113.15 132.97 22.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 30.55 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -139.29 50.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.515 ' H ' ' NE2' ' A' ' 122' ' ' GLN . 1.6 pm0 -98.56 -15.82 19.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.57 -164.49 50.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.459 ' HE2' ' CG2' ' A' ' 132' ' ' THR . 0.0 OUTLIER -71.93 58.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.724 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 179.33 168.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.91 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.32 -123.09 22.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -100.58 8.71 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.76 132.59 51.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -116.79 135.21 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.01 167.23 27.39 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.459 ' CG2' ' HE2' ' A' ' 124' ' ' MET . 57.9 m -81.17 -6.92 59.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 0.808 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.462 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm0? -92.89 -27.92 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -89.25 68.98 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -125.07 -174.23 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.6 t -118.91 122.63 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.23 162.31 40.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 60.9 mt -129.39 128.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.422 ' CD2' HG22 ' A' ' 46' ' ' ILE . 32.6 m-85 -117.61 83.74 18.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.49 24.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.4 -31.45 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 56.5 p -108.43 162.1 21.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -21.45 15.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -32.87 60.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -71.16 -43.23 67.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -61.88 -40.58 95.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -62.97 -40.86 98.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.0 64.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.99 -54.24 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 146' ' ' ASP . 0.1 OUTLIER -66.36 -31.77 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -69.01 -34.77 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.265 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -80.07 -22.33 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.36 -50.57 59.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.97 -33.79 75.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.74 -48.81 80.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -74.3 -30.41 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.66 -41.04 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.612 1.195 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.75 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.66 -26.09 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.01 -41.26 97.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.23 -44.59 87.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.41 63.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.81 15.61 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.2 t70 62.48 19.19 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 101.08 10.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 3.84 27.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 155.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -98.26 141.35 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.0 OUTLIER -68.39 116.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 38.0 p -107.17 18.74 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 14.3 t -89.11 149.77 23.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 139.87 47.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 25.4 mt -117.73 117.84 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.38 145.93 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -44.86 154.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.45 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.94 164.89 15.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -108.09 150.26 27.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 1.7 p90 -107.28 136.65 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.45 ' O ' ' CD1' ' A' ' 180' ' ' TYR . 55.7 m-85 -61.6 144.47 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.37 167.94 13.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.62 161.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.03 -34.42 64.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -22.61 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -102.57 -35.68 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.572 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.73 117.5 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.589 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 0.8 OUTLIER 58.68 47.53 12.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.802 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 18.4 t80 -66.41 -56.02 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.402 1.063 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -64.3 -14.07 53.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.651 ' N ' ' HD1' ' A' ' 191' ' ' HIS . 0.1 OUTLIER -84.44 -37.09 21.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -76.37 -32.46 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 195' ' ' TYR . 0.2 OUTLIER -128.83 96.5 29.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.422 1.748 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 193' ' ' ASN . 3.1 p90 -93.09 -4.51 52.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.92 -148.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 20.5 p90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.992 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -111.17 151.16 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 152.6 43.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.8 m -74.28 -34.71 63.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.1 148.04 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.462 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 56.6 t-80 -50.79 170.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -71.83 -64.17 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG13 ' CZ2' ' A' ' 60' ' ' TRP . 2.6 t -91.6 -51.47 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.462 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.0 OUTLIER -57.67 -23.31 50.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 39.63 29.52 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ASN . 12.4 m170 -99.6 165.71 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.584 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 p -64.38 119.29 10.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -55.29 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -64.78 -53.36 48.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 t -125.41 136.71 28.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 146.77 33.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.609 1.847 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 122.92 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.68 -8.27 43.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 tpp -98.7 143.44 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -126.45 164.33 21.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.33 152.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -133.06 124.49 27.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 3.3 mt -101.39 127.5 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 35.9 m-85 -150.12 155.21 39.41 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -119.36 113.57 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 21.92 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 85.19 -141.64 19.26 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . 1.2 t -41.98 108.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -74.89 2.7 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 40.2 m0 -74.31 -53.06 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.975 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.76 -27.13 59.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.505 HG13 ' CE2' ' A' ' 59' ' ' PHE . 34.3 t -73.04 -56.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 20.7 pt-20 -50.79 -51.63 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.0 -24.04 64.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 4.8 tp -68.61 -41.01 80.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 98' ' ' ILE . 34.0 m-85 -85.86 -33.21 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.451 ' CZ2' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -58.54 -51.81 68.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 107.965 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -72.25 -4.04 27.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.01 137.34 43.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.544 1.812 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.73 -15.77 7.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.5 t -93.74 123.79 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -81.69 -46.34 14.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 167.15 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -134.64 169.82 16.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.02 145.73 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . . . -108.44 149.91 28.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -172.35 -158.64 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.532 ' CD1' HG12 ' A' ' 85' ' ' VAL . 41.7 m-85 -148.27 147.83 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 8.5 t -170.42 164.07 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.42 -14.9 54.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -82.12 -157.47 20.63 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -116.93 -45.75 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.481 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 43.4 m -55.35 118.2 17.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.3 16.41 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 58.54 59.0 6.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.08 167.45 26.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.822 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.5 p -125.48 149.21 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.2 -29.69 14.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.79 -60.75 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 13.8 pt-20 -66.14 -44.88 82.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.532 HG12 ' CD1' ' A' ' 72' ' ' TYR . 48.4 t -53.21 -39.81 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.3 t -54.76 -41.65 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -44.33 83.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.88 21.42 23.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.03 26.47 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.96 -35.43 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.3 -2.74 68.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 87.6 m-70 -80.97 142.71 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.19 160.07 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.7 tp10 -70.03 116.17 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.401 ' N ' ' OE1' ' A' ' 94' ' ' GLU . . . -125.04 156.39 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.483 HG22 ' CB ' ' A' ' 52' ' ' PHE . 2.0 t -139.96 135.42 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -94.63 114.13 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.569 HD12 ' CE2' ' A' ' 59' ' ' PHE . 3.1 mt -104.57 123.58 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -101.73 114.33 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 5.3 p90 -135.13 165.17 26.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.92 135.76 19.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.11 17.65 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.09 -20.68 22.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.72 -65.6 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.4 tt -110.0 164.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -123.04 152.37 41.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -54.81 -41.06 70.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.643 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.5 tt0 -55.84 -41.42 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.74 -38.44 86.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 100' ' ' TYR . 19.6 mt -65.47 -50.62 64.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 74.4 mt -53.91 -38.39 64.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -66.0 -45.32 82.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.613 1.196 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.5 t -53.76 -48.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.675 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 19.5 m-85 -49.78 -55.41 14.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 7.0 m95 -66.11 -19.89 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -89.12 -9.07 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.51 ' OD1' ' CD1' ' A' ' 58' ' ' LEU . 1.6 m-80 -112.14 -31.37 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.4 145.05 9.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.655 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.79 155.26 85.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 0.44 8.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.42 50.15 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 134' ' ' TYR . 12.9 pt20 -78.39 -12.85 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.06 -179.56 27.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttm -71.96 63.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.05 170.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.545 ' HB3' ' CD1' ' A' ' 134' ' ' TYR . 10.6 tp60 -148.55 114.32 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.68 -119.28 17.63 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.95 11.86 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.535 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 0.2 OUTLIER -111.29 131.01 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -118.02 145.44 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.98 -178.16 27.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.0 p -90.24 -3.24 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -92.61 -1.43 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.545 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 57.7 m-85 -121.93 47.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 177.77 4.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.07 126.51 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.64 148.51 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.0 129.67 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.438 ' CE1' ' OG1' ' A' ' 177' ' ' THR . 42.4 m-85 -128.41 87.11 56.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 171.63 17.94 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.33 -32.58 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.3 p -104.34 162.58 19.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -28.41 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.99 -30.87 65.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.37 -41.3 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -46.81 88.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.08 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.05 73.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.07 71.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -69.5 -38.5 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.85 -38.52 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.403 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.4 p -80.44 -34.93 35.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.98 -51.96 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.66 -43.25 99.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -42.89 91.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 5.2 t80 -70.55 -29.83 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.38 -45.36 72.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.68 -34.01 35.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.04 -56.46 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.402 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 6.1 ptt? -62.51 -35.47 79.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 164' ' ' ASP . 0.1 OUTLIER -59.36 -46.52 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -55.75 -22.74 25.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -88.1 11.12 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER 80.78 -1.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.3 91.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 16.83 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.24 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . 0.402 ' O ' ' CE ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -68.5 156.75 37.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -97.41 127.3 43.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.671 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.1 116.44 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.4 15.55 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.0 m -83.09 138.71 33.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 127.55 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.62 116.89 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.23 156.12 42.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -45.54 144.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.71 118.54 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.438 ' OG1' ' CE1' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -86.02 168.13 20.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.55 4.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.85 148.55 39.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.12 130.31 56.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -59.6 138.4 57.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.03 168.71 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -46.16 147.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -32.96 74.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -32.8 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -85.05 -36.37 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -50.88 110.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 188' ' ' GLN . 3.8 mm-40 56.72 57.85 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 27.9 t80 -71.2 -45.06 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 193' ' ' ASN . 5.8 mt -67.24 -10.09 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -69.69 -31.97 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.583 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -83.41 -36.85 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 193' ' ' ASN . 0.1 OUTLIER -129.14 104.97 18.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -13.61 21.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -101.42 12.89 36.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -70.01 -158.29 2.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 111.011 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.8 tp -109.9 14.79 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -93.78 107.33 19.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -147.25 87.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -87.26 23.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -49.87 -25.86 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 137.89 49.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.45 170.01 16.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -78.39 148.02 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.53 163.75 48.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.05 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.34 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -39.18 13.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.45 155.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.06 151.5 3.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.37 9.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.04 161.21 10.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.58 159.64 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.76 88.46 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 m -133.45 99.25 14.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.86 18.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.35 129.95 23.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.69 29.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -112.28 127.78 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 152.53 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -74.81 -39.92 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -133.05 168.61 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.0 t-80 -64.6 169.06 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 188' ' ' GLN . . . -72.58 -64.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 191' ' ' HIS . 9.9 t -91.13 -49.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.36 -27.62 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.21 25.76 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' ASN . 2.8 m170 -100.46 -171.82 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.43 121.16 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -48.59 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.1 p -98.16 -49.64 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -51.44 127.04 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.47 133.54 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.44 36.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.39 119.38 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.0 31.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.407 ' SD ' ' C ' ' A' ' 100' ' ' TYR . 23.0 tpp -88.91 144.58 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.744 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -128.46 164.32 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.1 mt -110.77 155.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.565 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -142.34 129.74 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.8 mp -111.03 124.99 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 25.3 m-85 -145.69 143.5 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.74 113.65 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.5 mmm -126.16 18.85 7.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.24 -136.83 13.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -41.5 110.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 39.0 p90 -82.41 -2.65 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 47.5 m0 -70.7 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.78 -44.19 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 79.8 t -51.88 -57.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 6.3 tt0 -56.07 -40.89 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -53.86 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -55.42 -48.13 74.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 5.0 m-85 -60.63 -32.19 71.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CD1' ' NE2' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -75.13 -39.87 60.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -72.75 -3.8 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -82.28 142.26 47.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.71 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.45 -15.47 10.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.5 t -88.11 114.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.28 -52.97 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -148.66 158.97 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.5 p -136.77 160.01 40.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -139.87 157.48 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.42 141.55 49.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 179' ' ' PHE . . . -175.78 -159.31 21.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.98 151.92 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.85 171.2 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.71 -16.18 59.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.16 -171.9 47.77 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -113.99 -31.94 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.442 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -58.43 120.17 42.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.85 15.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 9.9 m120 52.4 63.97 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.541 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 169.04 23.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.429 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 78.2 m -122.19 152.54 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -50.52 -46.93 57.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.0 -39.01 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.0 mt-10 -68.1 -49.4 61.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 81.6 t -60.85 -36.39 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -37.73 72.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -48.73 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.12 19.4 21.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.6 17.16 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 62.0 p -113.58 -29.03 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.23 3.78 86.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.5 m-70 -84.18 143.84 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.63 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.38 166.68 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -69.8 116.58 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.31 151.4 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.65 141.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -94.75 116.54 28.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ALA . 3.2 mp -108.23 132.02 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 t -110.74 114.0 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 110' ' ' LEU . 4.7 p90 -134.29 165.92 24.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' SD ' ' A' ' 42' ' ' MET . 0.8 OUTLIER -99.35 137.66 20.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.5 21.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -17.56 30.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.4 t -101.98 -65.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.4 tt -109.75 157.1 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 p -117.26 144.52 44.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.4 p90 -49.85 -33.62 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -60.45 -42.84 96.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -64.73 -48.91 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 17.1 mt -55.28 -52.5 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 9.9 mt -54.77 -45.83 74.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 116' ' ' GLU . 9.1 tt0 -58.71 -46.37 87.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 117' ' ' ASN . 39.5 t -55.49 -42.62 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.808 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 4.3 m-30 -61.64 -33.78 74.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 16.4 m95 -86.23 -19.91 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' GLN . 1.1 tt0 -93.69 -9.06 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.5 ' OD1' ' CD2' ' A' ' 58' ' ' LEU . 2.5 m-80 -113.88 -35.91 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -135.0 168.06 19.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.63 144.01 28.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.03 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.61 50.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -93.79 12.91 24.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.79 -149.72 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.067 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -87.02 44.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 111.013 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.412 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -154.62 151.04 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.418 ' NE2' ' H ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -139.69 115.97 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.17 -117.44 10.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.13 24.92 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 2.6 m-20 -115.05 146.13 41.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.412 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -119.9 142.8 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 149.52 5.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 m -76.75 0.24 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -95.21 -0.24 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 19.8 m-85 -110.06 40.1 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -164.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -139.72 123.57 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.78 161.83 41.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.417 HD12 ' CH2' ' A' ' 115' ' ' TRP . 9.1 mt -130.34 138.93 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 177' ' ' THR . 62.3 m-85 -134.15 87.25 34.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.61 9.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.93 -31.87 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -109.6 167.46 9.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -32.32 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.53 -41.71 62.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -62.97 -44.41 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.03 87.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.68 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.04 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -64.07 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.449 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 20.6 p -59.0 -37.28 76.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.415 HD12 ' CG2' ' A' ' 171' ' ' THR . 6.1 tt -61.82 -50.47 72.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.54 -36.66 69.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.39 83.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 1.1 t80 -64.58 -35.58 81.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.423 ' O ' ' CD2' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -52.64 -41.88 64.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.71 -35.47 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.88 -35.17 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.24 -49.59 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 157' ' ' GLN . 2.2 mm? -52.53 -38.1 59.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.79 -30.22 71.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.69 24.2 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.4 t0 47.7 31.98 2.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.21 99.54 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.39 10.17 18.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.9 159.16 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -98.5 122.86 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.56 124.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 5.7 t -100.62 -20.51 15.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.415 ' CG2' HD12 ' A' ' 153' ' ' LEU . 1.1 m -55.76 132.7 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.14 126.78 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.446 ' CG2' ' OD2' ' A' ' 146' ' ' ASP . 2.3 mp -103.89 132.48 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.41 162.76 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -52.11 140.23 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.04 128.85 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 139' ' ' TYR . 2.5 p -101.27 167.4 10.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.99 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -115.62 124.94 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.452 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 23.4 m-85 -59.69 139.71 57.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.3 169.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.16 158.87 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -37.62 87.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.62 -36.8 69.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -83.18 -36.19 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.566 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.49 118.3 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.528 ' HB3' ' CG ' ' A' ' 191' ' ' HIS . 10.0 mp0 52.92 53.05 12.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 10.7 t80 -68.85 -49.87 54.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -14.01 42.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.528 ' CG ' ' HB3' ' A' ' 188' ' ' GLN . 22.6 m80 -82.36 -31.03 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -76.63 -40.97 47.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.4 116.28 41.75 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.11 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.05 18.49 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.3 -164.99 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.91 112.74 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.6 p -140.19 147.12 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -161.46 -43.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 18.5 tt -49.99 149.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 133.78 49.7 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.83 54.01 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.8 170.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.91 84.45 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.98 155.61 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.01 121.61 45.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 153.29 1.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.88 11.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 120.69 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.787 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.92 -39.63 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.8 14.95 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.27 157.03 14.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -126.76 112.54 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -87.21 29.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 7.5 23.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -60.26 98.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.646 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' CD1' ' CG2' ' A' ' 132' ' ' THR . 1.6 mm? -112.58 163.51 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.43 145.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.54 153.97 93.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.9 5.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.574 1.828 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.12 -25.82 58.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.614 1.196 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.32 -35.38 15.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.53 158.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.1 152.26 88.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -9.28 20.74 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.85 -176.45 9.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -129.01 172.58 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 0.816 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 18.8 p-10 -96.29 95.91 8.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 p -144.15 100.4 4.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.87 28.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.8 mmt -98.24 135.13 21.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.56 32.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.01 147.93 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 154.22 38.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 -43.96 80.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -123.86 169.38 11.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.46 ' ND1' ' N ' ' A' ' 29' ' ' ALA . 59.1 t-80 -64.17 168.53 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' HB2' ' CD2' ' A' ' 191' ' ' HIS . . . -72.32 -64.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 22.1 t -90.21 -48.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -32.89 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.13 17.96 8.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -100.57 168.61 9.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.542 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 79.1 p -50.3 119.95 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.917 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -53.88 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -73.83 -54.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.47 136.73 44.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.247 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.52 134.85 25.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.08 140.16 24.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.82 127.32 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.1 -21.73 24.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 ttm -88.63 164.56 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.07 165.12 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.229 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.33 153.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.3 126.26 16.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.178 . . . . 0.0 109.357 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 mt -95.59 125.02 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -136.3 147.27 47.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.3 121.57 24.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.588 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 12.9 mtp -141.6 39.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 -123.4 9.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 3.9 p -44.68 109.99 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 38.7 p90 -85.03 -2.79 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.68 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 52.4 m0 -70.04 -60.29 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.31 -44.75 16.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 72.3 t -51.91 -42.57 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 30.2 tt0 -67.78 -49.12 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -55.8 -52.04 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -34.93 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 55' ' ' VAL . 2.6 m-85 -76.56 -41.57 45.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.42 ' N ' HG21 ' A' ' 68' ' ' THR . 0.0 OUTLIER -66.76 -47.29 72.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -73.35 -3.47 27.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -69.55 138.15 88.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.26 3.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.58 17.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.94 118.25 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.2 t80 -71.55 -43.89 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.92 162.31 18.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 60' ' ' TRP . 46.4 p -129.86 169.37 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.9 159.63 44.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.8 141.52 47.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.224 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.73 177.96 44.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 180' ' ' TYR . 1.1 p90 -122.54 148.08 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 0.725 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 t -170.33 171.86 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.63 -6.03 51.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 92' ' ' HIS . . . -111.19 -172.85 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -109.02 -31.95 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 0.807 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 3.0 m -50.36 116.95 7.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.01 138.63 23.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.462 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 78.9 m-20 39.96 61.83 5.98 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.0 170.71 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -124.53 165.31 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -54.14 -33.64 58.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.38 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.85 -50.82 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' HA ' ' CG2' ' A' ' 90' ' ' THR . 39.1 t -59.77 -42.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -36.86 50.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 108.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -49.64 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.34 8.0 57.84 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.446 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.6 20.77 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -106.91 -35.25 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.407 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 91.66 -6.39 79.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.593 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 80.8 m-70 -85.62 144.02 28.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.657 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.33 167.86 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -74.41 115.7 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.76 19.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.47 135.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.52 128.18 34.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.27 127.38 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' TYR . 5.9 t -112.87 114.88 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -137.6 165.16 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.594 1.184 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.66 138.66 19.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.71 19.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t -89.29 -24.5 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.12 -59.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.2 tt -118.89 163.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -122.53 162.91 20.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 24.7 p90 -62.18 -35.59 79.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.603 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 tp10 -61.18 -46.58 89.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.17 -41.27 92.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.56 -45.87 92.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.431 ' CD2' HD12 ' A' ' 138' ' ' ILE . 34.7 mt -58.39 -41.25 84.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -46.12 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -56.52 -39.08 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.588 ' CZ ' ' CG ' ' A' ' 49' ' ' MET . 3.1 t80 -57.55 -52.71 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ3' ' HG3' ' A' ' 120' ' ' PRO . 3.5 m95 -67.67 -22.39 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.05 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -92.48 -2.08 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 113' ' ' VAL . 10.7 t-20 -102.95 -35.5 8.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -169.55 169.82 8.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 109.564 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 121' ' ' ALA . 1.1 p-10 -97.4 124.03 50.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.56 ' HG3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -74.97 24.44 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -126.06 50.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 19.34 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.55 -148.88 15.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.12 50.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.413 0.714 . . . . 0.0 110.967 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -155.06 155.88 34.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -147.17 125.71 12.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.442 ' N ' ' OE1' ' A' ' 126' ' ' GLN . . . 65.6 -121.89 21.18 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -111.17 21.55 16.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 0.738 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 16.1 m-20 -113.8 144.3 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -118.45 137.32 53.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.76 148.4 5.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.456 ' CG2' ' CD1' ' A' ' 8' ' ' LEU . 5.7 m -71.11 -5.48 31.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.84 -4.73 54.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 21.2 m-85 -102.91 38.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.065 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.2 mtm105 -88.54 177.49 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 p -126.44 137.0 53.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.84 147.73 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.444 HD13 ' CH2' ' A' ' 115' ' ' TRP . 53.2 mt -110.15 136.71 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.484 ' CE1' HG23 ' A' ' 177' ' ' THR . 12.1 m-85 -131.08 84.69 56.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.88 15.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.18 -22.48 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.7 p -115.48 163.58 20.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.44 6.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.57 -30.76 70.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -74.42 -39.29 62.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.499 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -63.6 -51.59 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.5 87.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.93 -53.27 60.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -60.27 -45.3 93.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.7 89.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.8 p -63.69 -39.5 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.99 -51.93 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.08 -35.08 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -32.45 63.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 41.1 t80 -74.86 -32.71 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -39.46 59.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.07 -34.21 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.17 25.31 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptt? -59.58 -33.76 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.66 -38.37 72.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.83 65.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.67 -5.05 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.2 t70 79.69 25.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.71 109.1 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -2.08 56.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.13 98.71 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.62 146.46 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 171' ' ' THR . 95.0 mt -55.33 136.25 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -109.34 -39.49 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.449 HG21 ' CG2' ' A' ' 169' ' ' ILE . 5.4 t -40.49 149.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.64 152.44 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.499 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 6.5 mt -114.77 133.41 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.98 162.63 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.217 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.09 141.93 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -46.33 128.8 10.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.484 HG23 ' CE1' ' A' ' 139' ' ' TYR . 2.1 p -106.78 163.33 17.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.64 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.8 p90 -98.15 147.51 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.468 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -109.29 142.99 39.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.89 145.1 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.6 166.89 13.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.57 158.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -39.64 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 67.0 m-70 -77.92 -36.21 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.54 114.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.428 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 5.0 mm-40 53.05 54.54 10.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.573 ' CE1' ' OD1' ' A' ' 193' ' ' ASN . 31.4 t80 -63.92 -46.56 84.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -14.58 38.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.84 -45.35 36.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.573 ' OD1' ' CE1' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -137.19 102.68 8.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.01 11.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -98.38 7.74 45.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -68.23 -155.94 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.7 112.61 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.86 160.02 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 108.279 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 121.26 56.05 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.593 1.183 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 10.3 tt -107.07 -46.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -50.85 117.11 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 156.62 99.83 0.16 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.18 -62.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.316 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 111.9 -24.73 14.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 160' ' ' MET . 16.8 t -90.57 129.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.29 -59.75 1.75 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 108.365 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 4.3 pp -140.12 151.32 64.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.42 14.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -172.12 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.27 -37.25 77.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.89 -14.31 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -66.84 141.37 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.59 149.92 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 30.05 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -87.01 9.7 18.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -60.19 133.29 55.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 109.618 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.23 167.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 13' ' ' ASP . 9.9 p -50.04 165.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -98.88 174.28 3.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.99 -38.0 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.88 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -85.4 -36.59 20.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.14 156.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.99 112.99 55.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.82 4.08 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.18 102.82 0.63 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 136.05 35.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -104.86 169.46 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -69.83 144.21 93.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 152.99 41.39 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtt -93.66 155.56 40.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.91 19.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -101.52 129.88 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.23 166.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 m -78.7 -42.29 28.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 mt -128.77 -176.85 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.3 t-80 -71.86 168.26 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.5 -65.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.8 t -90.54 -46.86 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -59.04 -31.79 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.07 17.95 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 34' ' ' SER . 1.2 t60 -100.17 170.07 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.547 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 3.1 m -52.39 119.95 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 mtp -79.85 -54.64 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -74.92 -55.04 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.14 128.41 35.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.8 t -119.2 136.03 24.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 141.37 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.03 136.97 58.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.08 -5.07 52.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.0 mtt -116.41 162.25 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.34 166.9 22.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.5 mt -107.14 150.8 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.59 124.6 25.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.64 126.38 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CD1' ' CE2' ' A' ' 114' ' ' PHE . 25.4 m-85 -136.71 146.98 46.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.83 110.01 13.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 2.3 mtp -131.29 39.57 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.29 -129.98 18.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 26.5 p -43.53 109.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -83.41 0.3 46.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -73.18 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.8 -31.62 55.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 74.6 t -67.26 -48.4 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.9 tt0 -56.0 -56.7 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -61.16 -24.19 66.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' CD1' ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -63.52 -44.65 93.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.46 -34.78 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.85 75.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -64.72 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.2 135.67 93.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 125.62 -13.97 7.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.2 t -88.45 111.27 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -70.15 -45.63 66.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.603 1.189 . . . . 0.0 110.99 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -169.69 154.8 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.07 161.94 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.39 140.66 27.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.4 143.72 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.93 -170.25 26.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 180' ' ' TYR . 2.1 p90 -137.23 146.15 44.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -170.19 164.46 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 2.16 34.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.556 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -103.59 -164.67 25.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.592 0.819 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 11' ' ' PRO . 58.5 m-85 -117.99 -34.15 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 35.5 m -57.05 123.76 61.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.77 20.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.6 m-20 45.9 63.64 9.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.0 164.83 32.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.819 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.435 HG21 ' CG ' ' A' ' 84' ' ' GLU . 5.7 t -124.83 159.18 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -50.05 -46.02 52.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' CG ' HG21 ' A' ' 81' ' ' THR . 44.4 mt-10 -65.92 -46.29 78.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.08 -42.96 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.7 t -54.32 -40.91 68.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -50.01 75.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.92 6.34 56.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.43 21.1 7.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -110.97 -24.51 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.75 68.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 88.7 m-70 -82.86 139.4 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.87 161.16 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.62 114.49 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 160.23 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -138.08 133.12 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -90.15 114.56 26.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 98' ' ' ILE . 3.5 mp -99.83 131.58 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' TYR . 6.1 t -109.74 114.53 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 105' ' ' ILE . 11.2 p90 -135.27 165.27 25.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.83 137.2 19.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -16.86 28.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.8 -62.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 100' ' ' TYR . 18.8 tt -112.76 163.9 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -125.28 159.53 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -56.82 -33.7 66.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.7 tt0 -64.1 -40.79 96.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.53 -37.66 84.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.1 mt -74.98 -34.57 62.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.663 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -75.48 -33.77 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.215 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.81 -55.26 15.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 114' ' ' PHE . 6.6 p -57.39 -34.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.606 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 22.3 t80 -51.8 -51.54 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.663 ' CZ2' ' CD2' ' A' ' 111' ' ' LEU . 6.2 m0 -59.48 -31.72 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -93.03 7.64 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.442 ' ND2' ' CD1' ' A' ' 58' ' ' LEU . 24.6 m120 -112.4 -49.75 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 49' ' ' MET . 7.7 m80 -138.59 167.07 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.79 135.87 19.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.98 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.453 ' CB ' ' HE3' ' A' ' 160' ' ' MET . . . -124.55 49.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -11.25 18.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 125' ' ' ARG . . . 71.75 -175.93 40.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 6' ' ' LYS . 1.2 mtt -69.27 59.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' GLY . 4.4 ptp180 -179.8 152.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -142.07 137.94 31.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.01 -128.55 26.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -93.92 16.2 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.352 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.36 128.13 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -120.02 131.23 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.636 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.61 157.08 9.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.065 . . . . 0.0 111.009 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 m -76.21 -0.53 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.603 0.825 . . . . 0.0 110.42 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -95.99 -5.86 40.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 110.235 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -108.35 44.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 136' ' ' SER . 73.2 ttt180 -92.76 166.0 12.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 135' ' ' ARG . 12.4 t -104.45 125.41 50.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.85 146.52 20.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 79.5 mt -112.72 133.25 59.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -125.06 84.38 59.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -113.52 -28.0 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.6 p -103.02 161.26 23.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.74 6.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.67 -31.58 68.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.12 -39.14 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -46.89 87.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -61.61 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -67.16 -44.54 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.09 -54.25 49.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.22 -37.78 86.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -54.83 -40.76 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.554 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 p -78.68 -36.43 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 171' ' ' THR . 5.2 tt -60.64 -51.95 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.6 -33.73 74.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.57 61.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -51.68 -37.39 50.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -53.5 -49.8 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.33 -38.98 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.53 -56.77 11.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' A' ' 121' ' ' ALA . 14.2 ptm -64.0 -34.72 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -48.39 76.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.58 -21.95 61.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -81.0 2.86 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.8 t70 81.47 8.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.97 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.23 11.15 19.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 159.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -98.68 122.29 41.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.11 114.76 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 81.7 p -95.08 10.42 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 153' ' ' LEU . 5.9 t -87.58 141.05 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.06 149.18 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.46 129.85 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -132.41 160.12 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -58.89 146.38 37.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.15 116.68 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.424 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.6 OUTLIER -101.72 178.35 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.07 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 4.4 p90 -65.27 150.69 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.659 ' CB ' ' CE1' ' A' ' 72' ' ' TYR . 39.8 m-85 -109.21 124.6 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.425 ' HA ' ' NH2' ' A' ' 97' ' ' ARG . 15.5 m-85 -64.57 131.58 47.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.29 170.04 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.511 ' OE2' ' CD2' ' A' ' 186' ' ' HIS . 6.0 pt-20 -65.0 161.14 19.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.206 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -31.94 73.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -25.61 59.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.511 ' CD2' ' OE2' ' A' ' 183' ' ' GLU . 56.4 m-70 -99.91 -48.7 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -54.08 133.1 43.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 42.51 48.65 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.556 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.0 t80 -64.42 -50.26 68.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -28.48 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -36.45 60.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -66.07 -31.27 72.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.13 103.08 14.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.4 21.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.425 1.75 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.63 7.28 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.88 -158.21 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -110.4 131.36 55.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.5 p -113.51 128.07 56.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -96.7 -31.33 7.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.425 ' CD1' HD21 ' A' ' 58' ' ' LEU . 5.8 tt -56.01 150.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -164.26 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 124.24 126.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.461 ' CD1' ' C ' ' A' ' 203' ' ' ILE . 0.1 OUTLIER -82.36 -50.48 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 203' ' ' ILE . . . 64.2 88.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.3 t -131.37 140.68 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 7.4 t -42.66 122.59 2.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 108.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.12 155.29 80.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 154.28 42.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.468 1.772 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 164.12 33.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -56.64 149.56 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.79 15.02 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -103.03 111.06 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -140.05 58.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -87.23 30.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -86.54 9.84 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.96 105.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.18 169.99 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -41.33 145.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.11 168.97 21.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' O ' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.96 -41.27 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.21 63.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.83 -39.35 24.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 142.19 12.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.01 113.31 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.02 85.29 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' PRO . . . -43.63 -95.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -157.13 176.47 12.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -104.49 96.82 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.47 99.26 7.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.81 22.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 mtt -87.81 160.53 46.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 147.66 33.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.41 128.71 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 152.08 17.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.6 m -75.35 -40.62 58.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.46 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 73.6 mt -125.66 168.15 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.465 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 60.4 t-80 -72.23 164.66 25.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.584 1.177 . . . . 0.0 109.646 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -73.64 -65.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 38.8 t -86.46 -51.1 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.576 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.465 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -56.21 -34.92 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 65.03 6.28 24.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' HIS . 39.5 m170 -101.44 159.03 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 p -64.79 118.83 9.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -28.75 35.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 p -74.84 -45.8 40.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 133.17 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.22 113.88 29.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.47 32.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 127.69 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 100.49 -20.47 48.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.7 tpp -79.95 143.46 34.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.42 167.42 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG21 ' NE ' ' A' ' 97' ' ' ARG . 3.9 mt -117.39 155.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -143.23 125.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.4 mt -102.63 124.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -131.57 146.63 52.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.66 110.0 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -132.76 16.59 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 87.92 -124.83 7.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.475 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -41.89 109.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 40.1 p90 -84.57 -2.18 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 46.8 m0 -70.02 -59.94 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.14 -44.55 17.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 79.0 t -52.3 -57.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG3' ' CG1' ' A' ' 96' ' ' VAL . 30.6 tt0 -61.83 -35.2 77.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.71 -55.26 18.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.414 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -59.03 -33.18 70.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -63.34 -55.86 21.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.604 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.29 -14.72 63.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.027 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.31 -0.12 48.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -96.47 143.21 25.72 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 109.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.33 -8.99 5.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.609 1.193 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -90.17 121.85 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -80.05 -46.98 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -160.64 160.67 31.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.4 p -139.83 158.59 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -151.81 152.66 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.4 149.95 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.83 -173.8 37.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -126.73 146.78 50.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -167.86 163.91 14.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.32 -5.86 38.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -117.53 165.11 12.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 11' ' ' PRO . 66.7 t80 -86.03 -33.0 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.9 m -49.89 116.77 6.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.0 23.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.3 m120 45.83 64.1 8.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.449 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.9 154.43 43.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.7 m -118.33 160.41 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.26 -45.36 65.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -46.07 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.47 -49.01 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.49 ' HA ' ' CG2' ' A' ' 90' ' ' THR . 90.4 t -57.96 -36.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -32.0 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -49.25 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.51 10.07 58.37 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.61 17.88 19.39 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.59 0.818 . . . . 0.0 109.367 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.49 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -105.55 -35.57 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.05 -3.54 84.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.58 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 47.5 m-70 -83.39 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.86 173.83 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -83.6 114.82 21.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.57 164.0 23.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 56' ' ' GLU . 82.0 t -142.04 135.98 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -89.74 130.91 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.566 HD11 ' CE2' ' A' ' 59' ' ' PHE . 2.7 mp -126.96 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.94 114.63 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 110' ' ' LEU . 14.4 p90 -134.42 165.07 26.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.63 136.13 19.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.02 -13.17 21.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 -10.44 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.75 -56.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.414 HG22 ' CD1' ' A' ' 100' ' ' TYR . 17.9 tt -117.93 163.34 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.3 p -117.85 155.95 29.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 30.5 p90 -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 9.4 tt0 -58.72 -41.14 85.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.55 -51.56 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.9 mt -57.03 -39.62 75.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.431 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 7.0 mt -71.22 -33.53 69.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.58 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -58.88 -55.39 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -55.53 -35.86 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 7.5 t80 -48.85 -56.87 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.58 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.83 -21.2 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 3.87 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 113' ' ' VAL . 26.4 m120 -130.55 -47.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' PHE . 2.1 t-160 -138.71 146.53 41.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 141.23 31.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 0.93 8.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.67 48.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -96.0 4.92 52.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.462 ' CA ' HG23 ' A' ' 170' ' ' THR . . . 62.25 -179.36 4.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 62.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 179.91 157.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -149.16 142.56 25.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.21 -120.75 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 14.81 23.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 22.9 m-20 -110.59 137.91 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -120.14 143.42 48.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.603 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.1 166.35 14.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.8 p -80.38 0.28 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.4 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -93.62 -27.09 16.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 40.1 m-85 -97.73 62.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -119.27 -173.4 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 131.46 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -159.91 142.45 13.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 96.1 mt -117.76 125.7 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.567 1.167 . . . . 0.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -115.51 86.79 15.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 22.2 mt -112.27 -32.28 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.0 p -105.07 164.03 15.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.17 9.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.93 -32.25 67.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.28 -38.07 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -63.28 -50.93 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.83 77.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.27 74.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.89 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.56 -40.95 69.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 4.2 p -69.55 -40.65 76.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.39 1.056 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.23 -47.1 85.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.88 -40.82 75.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 -69.06 -33.87 74.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.235 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 152' ' ' SER . 38.7 t80 -67.14 -39.06 86.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.41 ' CG ' HD12 ' A' ' 169' ' ' ILE . 34.9 tt0 -51.78 -39.8 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.51 35.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.55 19.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -60.2 -34.05 73.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.24 -41.55 99.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.69 65.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.02 46.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.02 30.45 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.69 111.02 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 19.13 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 147.32 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -87.3 140.13 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.41 HD12 ' CG ' ' A' ' 157' ' ' GLN . 60.0 mt -76.44 107.61 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.462 HG23 ' CA ' ' A' ' 123' ' ' GLY . 5.5 t -93.11 -19.22 21.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.9 t -57.29 146.65 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 135' ' ' ARG . 0.3 OUTLIER -138.59 138.67 38.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.4 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 3.6 mt -117.11 129.2 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -150.44 157.3 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -48.71 147.04 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -58.5 120.59 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.7 p -93.41 163.04 26.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 97' ' ' ARG . 19.5 p90 -85.86 149.41 25.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.77 134.61 49.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.059 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -65.55 141.95 58.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.34 167.83 13.19 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.86 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.58 -36.19 80.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.09 -30.69 60.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 91.0 m-70 -91.73 -39.95 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 119.23 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 28' ' ' HIS . 1.2 mt-30 53.43 50.52 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.576 ' CD1' ' CD2' ' A' ' 53' ' ' TRP . 57.8 t80 -65.24 -51.23 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -28.25 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.524 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.37 -36.99 71.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.589 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 189' ' ' TYR . 3.5 tttp -78.33 -36.35 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.547 ' ND2' ' CD1' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -119.78 102.0 47.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -17.98 19.38 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . 0.444 ' O ' ' CD2' ' A' ' 195' ' ' TYR . 2.1 p90 -102.66 19.24 19.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.59 -169.87 41.32 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -65.95 120.04 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 51.4 m -123.39 -47.31 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -42.54 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.64 -52.71 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 0.753 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 157.97 -148.84 18.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -110.59 112.43 3.26 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.97 170.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.91 80.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.71 131.14 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 109.372 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 90.1 m -113.06 174.65 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 108.273 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.85 131.19 14.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.02 17.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.798 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.7 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -50.62 112.28 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -109.55 -44.02 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -139.6 158.56 43.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.92 63.78 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 29.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 4.14 25.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.08 139.93 57.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.588 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.5 tp -148.8 153.79 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.36 157.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -101.03 174.07 3.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.02 -44.95 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.32 -12.18 60.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.59 -33.35 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 159.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.49 105.69 0.54 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.36 -149.81 5.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -171.07 145.99 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' CG ' ' CG2' ' A' ' 81' ' ' THR . 3.6 t-20 -105.61 167.86 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.9 p -75.31 157.23 85.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.12 28.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.4 mtt -104.09 154.09 38.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.79 42.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.63 150.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.231 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 157.55 33.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -89.74 -33.18 16.67 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -129.02 157.96 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.86 168.74 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.572 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.496 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -71.57 -64.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.41 -47.68 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.1 t30 -58.37 -32.81 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 56.67 16.37 16.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -99.7 162.97 12.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 0.715 . . . . 0.0 109.586 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 m -60.73 120.22 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -42.93 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -66.12 -50.91 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.79 125.47 27.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.37 136.1 19.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 150.21 38.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.57 139.28 55.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.98 -15.84 59.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.585 1.178 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.91 162.21 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.94 165.43 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.0 mt -109.87 147.34 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -131.62 125.07 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 HG23 ' CG ' ' A' ' 139' ' ' TYR . 3.5 mt -104.16 132.03 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE2' ' HE2' ' A' ' 114' ' ' PHE . 65.4 m-85 -150.42 140.71 22.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -110.8 109.7 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.9 13.9 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.47 -129.56 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.5 p -42.44 109.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CB ' ' CG1' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -80.7 -4.73 55.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.78 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 18.0 m0 -71.72 -53.61 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.045 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.61 -42.35 17.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.3 t -54.5 -58.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.3 pt-20 -54.37 -44.99 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -62.65 -54.8 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -36.73 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 5.3 m-85 -80.3 -34.5 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.553 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -63.59 -53.65 48.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -68.55 -7.82 35.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 HD11 ' CG1' ' A' ' 113' ' ' VAL . 5.3 tt -68.44 137.75 91.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 123.11 -13.77 8.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.26 123.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.445 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.46 -52.65 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -155.68 160.81 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -137.42 168.57 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.41 159.54 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -109.34 135.94 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.26 -164.73 15.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.557 1.161 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.71 147.39 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.422 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.1 t -170.07 163.02 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.34 -12.98 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -98.64 -167.72 31.02 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -109.81 -36.14 5.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 63.8 m -55.24 115.1 8.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.32 16.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.58 ' OD1' ' CE1' ' A' ' 180' ' ' TYR . 8.9 m-20 60.36 62.24 3.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.02 169.74 21.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.495 ' CG2' ' CG ' ' A' ' 19' ' ' ASN . 20.5 p -122.81 150.51 42.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.95 -34.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -57.04 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 54.3 mt-10 -56.89 -49.8 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.9 -46.58 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.8 t -49.77 -42.61 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -68.86 -38.87 80.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.6 25.66 24.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 14.18 31.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 80.5 p -112.19 -25.15 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.68 -10.96 65.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 49.9 m-70 -78.26 146.8 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.558 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.07 175.16 6.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -70.45 121.47 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.0 152.82 42.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.205 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 5.1 m -140.39 147.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.457 ' N ' ' NE ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -101.57 115.81 31.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.593 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 2.9 mp -108.96 129.57 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.0 t -105.27 114.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.414 ' CG ' HD11 ' A' ' 110' ' ' LEU . 19.0 p90 -130.81 165.13 23.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.37 135.78 19.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -12.52 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -89.51 -21.7 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.44 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 74.5 t -94.27 -63.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.439 ' CD1' HD21 ' A' ' 110' ' ' LEU . 17.3 tt -117.03 155.78 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.3 p -108.12 142.93 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.4 p90 -46.35 -28.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.609 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -69.54 -40.75 76.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.17 -36.96 80.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 32.2 mt -62.96 -45.88 90.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 12.4 mt -64.9 -36.46 84.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.2 83.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 62' ' ' LEU . 2.6 t -68.02 -43.57 85.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.787 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -72.18 -23.8 61.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 26.7 m95 -76.08 -25.81 55.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.65 -0.02 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -124.28 21.78 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -169.68 145.53 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.57 141.45 23.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.06 9.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.63 48.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.93 -17.53 46.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.218 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.96 -155.67 48.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.1 mtt -85.3 48.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -155.96 155.15 32.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -143.26 112.68 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.11 -118.4 13.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.34 23.91 9.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -114.04 133.26 55.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.83 127.24 53.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.653 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 162.19 154.7 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.6 p -77.0 0.38 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -5.07 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -107.41 39.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.06 -179.62 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.2 m -127.76 116.1 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.15 159.09 44.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 52.9 mt -118.87 130.01 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 177' ' ' THR . 67.1 m-85 -116.11 81.81 10.65 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.37 40.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 176' ' ' ALA . 4.3 mp -117.69 -10.31 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 0.5 OUTLIER -121.69 162.1 38.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -39.32 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.48 -30.52 71.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.92 -40.74 65.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 142' ' ' THR . 3.2 m-20 -61.25 -49.64 76.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.91 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.69 97.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.15 50.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -67.16 -48.32 68.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.38 72.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.451 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 89.8 p -69.52 -33.36 72.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.84 -51.88 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.7 -40.59 95.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -60.14 -43.07 95.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 2.7 m-85 -72.2 -31.52 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 160' ' ' MET . 21.2 tt0 -52.1 -33.94 41.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.35 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.04 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.448 ' HA ' ' CG1' ' A' ' 205' ' ' VAL . 22.5 ptm -55.88 -36.22 67.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.7 OUTLIER -59.41 -42.77 92.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.7 -23.44 64.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.13 5.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 16.9 t0 77.0 7.9 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.33 91.76 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.63 17.04 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 160.12 24.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 169' ' ' ILE . 15.6 t60 -91.7 123.42 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.638 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 171' ' ' THR . 7.7 mt -56.59 130.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 72.5 p -105.08 -22.98 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.476 HG22 ' CG2' ' A' ' 169' ' ' ILE . 10.5 t -64.17 134.75 55.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.2 mt -125.01 122.13 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.76 142.04 38.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -43.74 151.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 141' ' ' LEU . . . -63.39 128.47 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.537 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.2 OUTLIER -102.6 -175.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.99 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -81.98 149.79 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.58 ' CE1' ' OD1' ' A' ' 79' ' ' ASN . 40.6 m-85 -125.87 122.7 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -60.34 135.42 57.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.19 169.19 13.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.21 147.2 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.0 -33.08 74.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -40.8 63.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -90.86 -28.53 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.453 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -61.23 136.76 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.496 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 1.3 pt20 41.81 42.99 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.78 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 17.0 t80 -63.08 -57.88 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 6.2 tp -53.61 -22.74 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 188' ' ' GLN . 9.9 m170 -73.16 -42.62 62.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.08 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -138.36 109.25 8.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -106.42 26.29 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -84.86 -160.26 32.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.62 131.9 49.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.4 -176.38 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 108.314 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 103.12 128.44 6.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.562 1.164 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 201' ' ' GLY . 7.7 tp -110.17 -56.09 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 200' ' ' ILE . . . 146.08 -163.0 28.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -110.74 100.76 1.28 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.96 168.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 128.58 78.9 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 160' ' ' MET . 71.8 t -110.71 127.82 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.97 179.28 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.61 143.8 50.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 122.25 7.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.54 4.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.01 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tp -109.89 -38.06 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.33 96.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -139.9 150.58 44.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -87.04 30.4 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -50.03 -24.3 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 105.88 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 9' ' ' VAL . 2.3 tm? -69.33 150.4 47.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 11.3 p -75.18 169.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -99.57 179.01 1.12 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.01 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.29 -15.06 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.61 -14.64 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.37 139.93 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' O ' ' OG1' ' A' ' 77' ' ' THR . 5.5 mp -86.83 137.58 33.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.66 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.56 171.72 0.44 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.58 178.84 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -93.49 110.54 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -135.48 99.06 12.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 137.4 21.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.6 mtm -118.06 139.26 26.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.68 22.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -105.08 141.59 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.72 163.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 83.3 m -85.89 -42.41 14.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -123.88 176.76 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.425 ' HB3' ' N ' ' A' ' 32' ' ' GLY . 58.7 t-80 -79.12 168.8 19.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 28' ' ' HIS . . . -71.66 -64.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 191' ' ' HIS . 3.7 t -90.27 -47.7 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.1 -34.42 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 57.36 15.42 16.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -100.58 169.91 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.96 121.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -79.06 -52.57 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.3 p -66.15 -53.6 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.21 136.08 43.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.55 126.55 24.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.6 Cg_endo -74.96 146.13 32.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.46 124.32 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.7 -21.87 33.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' CE ' ' OD1' ' A' ' 101' ' ' ASP . 27.9 tpp -81.19 153.34 27.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.48 165.47 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.56 151.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.97 124.96 16.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 28.6 mt -105.17 130.1 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.4 m-85 -143.2 139.82 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.75 111.43 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.592 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 11.7 mmm -128.84 17.08 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 79.91 -124.35 6.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 26.6 p -41.89 109.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 34.8 p90 -85.59 -1.54 57.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.667 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.8 m0 -70.51 -60.54 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.46 -43.85 18.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 78.1 t -51.74 -51.27 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 66.6 tt0 -63.28 -34.23 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.62 -39.88 76.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' CD1' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.36 -44.0 92.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -66.35 -37.33 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.07 -38.24 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -76.22 -0.73 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 58' ' ' LEU . 1.4 mt -86.86 134.5 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 115.16 4.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.06 -5.67 10.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -95.44 115.42 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -70.6 -44.26 67.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -163.14 163.36 25.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -136.2 162.81 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.505 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -151.94 159.01 43.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.57 150.13 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.64 -177.07 41.75 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.472 1.108 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -133.09 151.47 52.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.423 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 9.5 t -170.62 171.46 6.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.07 -20.65 48.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.573 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.89 -172.45 43.97 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -111.08 -29.86 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 28.5 m -54.38 123.48 43.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.04 137.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.4 m120 40.38 63.14 5.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 167.13 27.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -124.98 159.02 32.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.92 -48.75 60.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -54.61 -30.24 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -46.56 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.516 ' HA ' ' CG2' ' A' ' 90' ' ' THR . 39.1 t -61.35 -49.59 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -42.07 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -50.18 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.522 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 103.7 17.1 17.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.48 30.11 4.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -122.68 -35.49 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.45 -1.13 86.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.573 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.3 m-70 -84.81 144.1 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.726 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.51 175.18 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -90.38 118.14 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.12 157.24 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 74.7 t -133.49 129.87 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 69' ' ' ALA . 1.7 ttt180 -88.54 120.13 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.19 139.14 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' TYR . 57.4 t -120.98 114.46 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.479 ' CD2' HG23 ' A' ' 105' ' ' ILE . 13.5 p90 -137.49 165.38 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.453 ' OD1' ' CE ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -104.6 138.5 19.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.82 20.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.2 t -88.49 -19.9 25.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.8 t -104.39 -60.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.479 HG23 ' CD2' ' A' ' 100' ' ' TYR . 16.9 tt -121.26 157.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 157.7 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.0 p90 -61.81 -29.22 70.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.4 tt0 -64.51 -41.81 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.38 -36.24 83.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.48 -39.56 85.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.62 -38.55 90.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.88 -44.33 82.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -62.07 -51.78 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -53.66 -34.61 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 156' ' ' PHE . 6.7 m0 -65.18 -33.23 75.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 107.963 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.19 8.2 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 113' ' ' VAL . 9.6 m-80 -125.95 8.04 7.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 49' ' ' MET . 0.1 OUTLIER -170.76 169.22 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.595 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -123.43 140.72 34.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.493 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.6 Cg_endo -74.98 -0.32 9.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.35 50.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 136' ' ' SER . 0.0 OUTLIER -77.19 -19.86 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.16 -158.14 45.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.478 ' CG ' HG22 ' A' ' 132' ' ' THR . 0.0 OUTLIER -88.18 42.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 0.805 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.451 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER 179.8 148.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -137.9 121.27 17.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.51 -115.36 7.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -106.11 6.59 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 8.8 m-20 -111.49 131.02 55.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.5 m-70 -114.02 154.78 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.545 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 129.28 162.63 10.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.478 HG22 ' CG ' ' A' ' 124' ' ' MET . 68.7 p -81.9 1.58 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -87.89 5.15 41.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 89.2 m-85 -125.1 19.42 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -74.99 164.13 26.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.452 ' N ' ' OE1' ' A' ' 122' ' ' GLN . 21.7 t -99.16 105.5 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.27 142.41 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.422 ' HB ' ' CG1' ' A' ' 173' ' ' ILE . 6.1 mt -109.86 132.66 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -124.61 86.06 55.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 171.16 18.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.406 HD22 ' CB ' ' A' ' 176' ' ' ALA . 2.0 mm? -115.77 -9.29 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.4 p -124.07 160.68 51.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.81 10.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.45 -33.16 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.34 -31.15 62.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -47.22 63.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -60.85 -37.64 82.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.06 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.73 45.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.68 -41.26 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -53.91 -36.66 62.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 p -74.15 -39.42 63.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.46 -51.69 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 151' ' ' ALA . 7.0 pt-20 -58.49 -33.67 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -77.07 -41.55 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CD2' ' CE2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -55.12 -44.35 74.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.89 -41.21 61.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.204 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.29 54.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.09 -56.23 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' A' ' 169' ' ' ILE . 4.7 ptm -64.51 -34.48 78.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.34 -37.58 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.77 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.09 -3.8 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 81.95 27.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.43 98.93 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.33 -5.95 57.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' CE ' ' A' ' 160' ' ' MET . 26.1 mmm-85 -56.04 159.9 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.05 129.31 46.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.672 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.431 ' CG2' ' SD ' ' A' ' 160' ' ' MET . 1.8 pt -67.08 121.58 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -91.86 4.99 51.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 t -82.07 150.24 27.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 156.01 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.422 ' CG1' ' HB ' ' A' ' 138' ' ' ILE . 1.7 mp -122.44 132.03 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.88 162.49 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -50.5 155.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.406 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -70.68 118.24 13.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 23.1 p -88.49 161.26 42.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.33 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -80.34 150.15 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.067 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.71 136.25 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.15 141.21 58.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.99 167.79 12.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.3 146.09 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 5.6 p-10 -58.08 -35.81 71.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -27.08 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 18.2 m-70 -91.06 -32.47 15.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 184' ' ' ASP . 81.7 mm-40 -56.35 129.52 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.237 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 44.32 48.88 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 6.6 t80 -61.7 -52.36 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.615 1.197 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -26.37 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.574 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.09 -38.03 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -67.14 -33.04 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -128.33 108.02 19.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.73 16.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -106.27 16.3 25.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -72.82 -167.48 10.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.41 118.24 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.8 p -124.14 -170.67 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 87.9 72.29 1.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 4.2 tp -107.49 149.95 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 117' ' ' ASN . . . 72.22 -123.51 9.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 83.81 -11.44 56.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 5.6 tp -130.2 164.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.572 0.807 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 130.63 82.32 0.26 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 206' ' ' CYS . 10.8 p -70.39 152.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . 0.405 ' N ' HG23 ' A' ' 205' ' ' VAL . 2.5 m -117.97 150.36 39.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.2 OUTLIER -73.25 -53.28 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.2 Cg_endo -75.01 155.75 42.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 160.51 39.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.12 137.01 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.96 -44.63 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -139.74 158.75 43.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -127.12 49.16 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.381 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 30.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -10.51 59.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -62.89 137.09 58.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -124.6 169.67 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.16 160.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.74 171.41 5.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -42.74 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.29 -13.54 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.32 -36.5 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.88 156.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 153.42 94.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -4.27 15.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.57 -173.0 0.82 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -138.85 149.22 44.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -66.95 91.13 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.9 m -127.07 99.19 28.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 139.22 23.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.9 138.15 21.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 147.58 33.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.28 141.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 157.37 13.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.7 m -81.99 -36.38 27.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.472 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -138.89 151.49 46.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 61.4 t-80 -54.29 166.85 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.613 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 188' ' ' GLN . . . -72.22 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG13 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.88 -48.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.439 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.42 -29.24 65.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.32 21.1 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -99.55 168.23 10.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 m -73.18 123.23 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -41.07 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -69.18 -51.29 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.25 129.63 42.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.227 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -124.34 118.42 26.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 149.24 36.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.51 130.98 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 95.55 -24.09 30.93 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 44.4 tpp -71.0 144.16 50.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -139.82 159.76 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' CZ ' ' A' ' 97' ' ' ARG . 4.4 mt -111.88 154.9 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.45 125.55 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 179' ' ' PHE . 10.1 mt -93.48 124.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 29.0 m-85 -136.76 151.7 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -134.27 110.38 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.561 ' HE2' ' CD1' ' A' ' 114' ' ' PHE . 0.6 OUTLIER -132.35 37.04 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 73.03 -129.34 12.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 20.0 m -41.17 110.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.725 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -85.73 -10.46 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.725 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -62.65 -56.61 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.48 -46.92 11.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 76.2 t -50.67 -58.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -35.17 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 52.0 ttt-85 -70.86 -43.85 67.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -54.12 -55.06 31.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.97 -33.89 75.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.527 ' CZ2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.61 -40.98 98.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -78.91 -22.25 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 113' ' ' VAL . 14.5 mt -59.14 134.89 87.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 113.51 3.8 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 123.28 -5.36 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.0 t -93.76 117.18 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.0 t80 -73.5 -43.04 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.165 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -171.01 162.06 7.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -128.96 168.54 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.46 152.21 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.31 139.29 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -170.08 -171.15 35.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.18 151.04 52.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.9 t -166.78 164.78 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -22.72 17.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.07 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 92' ' ' HIS . . . -96.53 -178.9 35.3 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -105.39 -27.18 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -51.0 118.15 9.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.05 13.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 8.7 m120 53.18 63.77 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.07 163.68 34.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 77.6 p -122.36 154.84 37.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -51.27 -42.46 61.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -48.46 77.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 29.0 mt-10 -56.95 -49.94 74.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.97 -46.08 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.98 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -50.03 45.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.74 18.72 22.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.575 1.172 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -100.03 16.47 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 59.9 p -116.76 -35.02 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.21 -10.66 72.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 66.7 m-70 -64.77 147.06 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.06 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.8 mt-10 -73.13 119.23 17.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.74 153.21 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.0 m -142.98 141.41 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 179' ' ' PHE . 1.5 mtt180 -89.92 130.9 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ALA . 3.6 mp -116.71 123.83 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' TYR . 45.0 t -101.28 114.59 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.405 ' CG ' HD13 ' A' ' 110' ' ' LEU . 20.1 p90 -131.2 161.3 32.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 137.0 20.05 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.6 Cg_endo -74.99 -7.72 19.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -88.0 -14.46 39.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.4 t -114.99 -62.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 15.3 tt -113.39 165.5 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' A' ' 105' ' ' ILE . 98.4 p -114.55 167.32 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.921 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.0 p90 -70.55 -40.56 73.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.63 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -62.29 -34.1 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -62.22 -44.71 95.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' A' ' 100' ' ' TYR . 77.8 mt -61.94 -48.42 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 149' ' ' ALA . 6.0 mt -54.92 -45.87 74.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -61.06 -37.83 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 62' ' ' LEU . 30.9 t -62.53 -39.09 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.561 ' CD1' ' HE2' ' A' ' 49' ' ' MET . 0.0 OUTLIER -61.37 -38.74 88.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 2.4 m95 -86.33 -22.24 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' GLN . 4.7 mt-10 -92.79 0.94 57.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.47 ' OD1' ' CD1' ' A' ' 200' ' ' ILE . 21.9 t-20 -111.22 -47.72 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 126' ' ' GLN . 3.3 t-160 -142.74 167.14 22.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 123.6 68.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.519 ' HG3' ' CE3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 1.4 7.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -109.35 50.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -106.88 -5.66 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.02 -142.8 48.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 44.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.92 156.88 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 118' ' ' HIS . 43.5 tp60 -139.91 110.89 6.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.89 -114.75 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -103.84 16.28 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.84 144.17 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -120.02 146.96 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.24 149.99 5.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.9 m -72.69 -6.1 42.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.773 . . . . 0.0 110.446 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -91.68 -3.43 56.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.47 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 51.6 m-85 -113.95 54.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.9 179.33 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -113.78 121.96 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.33 145.48 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.56 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 85.4 mt -115.28 138.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -132.08 83.48 56.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.0 166.15 29.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.93 -21.98 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.208 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.5 p -108.09 160.8 25.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -75.68 -36.72 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.444 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 54.3 tt0 -65.6 -37.8 87.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -65.08 -50.47 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -58.97 -37.02 75.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.5 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -74.2 -34.32 63.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 111' ' ' LEU . . . -67.82 -54.75 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -65.98 -30.18 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -71.82 -33.99 68.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 54.2 p -77.49 -25.71 50.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -67.27 -49.37 64.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.61 -36.73 81.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 160' ' ' MET . 10.9 t80 -71.47 -35.63 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.18 -44.32 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.36 -34.16 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.09 -56.57 16.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 156' ' ' PHE . 3.2 ptt? -64.52 -37.08 86.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.6 tp -51.28 -45.88 62.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.11 -24.47 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -87.99 7.11 32.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.0 t0 75.04 18.97 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.64 94.08 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 19.84 5.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.99 162.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -93.27 129.8 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -76.37 113.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 16.7 p -94.17 -28.9 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -41.82 132.92 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -134.31 130.46 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.443 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 2.9 mt -106.91 132.06 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.53 162.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -49.1 141.03 8.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.5 118.32 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.88 167.08 32.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 80.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.53 ' CZ ' ' CZ ' ' A' ' 97' ' ' ARG . 25.6 p90 -61.13 150.59 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.43 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 20.5 m-85 -124.41 120.22 31.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.84 118.7 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -76.24 170.13 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 153.9 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.94 -33.15 74.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -35.55 49.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.86 -45.9 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -51.15 132.61 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.475 ' CG ' ' HB1' ' A' ' 29' ' ' ALA . 11.4 mp0 47.36 47.57 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.62 ' CE1' ' CE3' ' A' ' 53' ' ' TRP . 21.8 t80 -63.99 -51.24 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.81 -24.8 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -39.55 47.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -37.5 79.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.6 94.43 48.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.17 20.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -100.03 -4.32 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -58.78 -157.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.89 130.35 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.81 32.42 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -110.43 94.42 0.79 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.47 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -72.18 146.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.348 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -47.33 -95.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 155.84 142.03 3.33 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.485 ' CD1' ' HB ' ' A' ' 205' ' ' VAL . 0.0 OUTLIER -123.46 -56.04 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.446 0.733 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 203' ' ' ILE . . . 32.32 81.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.483 1.115 . . . . 0.0 111.08 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 203' ' ' ILE . 1.2 t -140.5 136.63 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 0.729 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.57 98.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.2 OUTLIER -52.59 -46.47 95.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.2 Cg_endo -74.98 143.87 29.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.566 1.824 . . . . 0.0 111.025 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 149.35 47.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 130' ' ' HIS . 77.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -41.63 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.44 158.31 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.401 1.063 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -93.11 56.24 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -87.29 26.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -40.65 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 112.98 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tp -80.56 137.55 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.6 162.6 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.415 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -99.89 173.83 3.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.967 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.1 Cg_endo -75.07 -43.85 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.86 -29.98 61.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.53 -32.47 42.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.63 146.07 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.63 155.66 68.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 179.36 49.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.52 158.11 25.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -85.11 79.29 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.94 104.39 3.2 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 135.54 19.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.7 mmt -87.27 124.49 68.17 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.46 27.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.7 t -118.64 152.73 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.79 158.18 18.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 m -81.28 -38.02 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -132.3 154.31 49.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 56.0 t-80 -57.65 171.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.75 -64.59 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.4 t -91.66 -52.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.497 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 54.9 m-80 -57.65 -25.87 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 40.32 28.85 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASN . 48.3 m170 -100.43 159.68 14.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 0.744 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -44.68 119.46 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -48.39 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.4 p -89.24 -51.46 5.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.73 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -118.88 124.53 28.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.92 37.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.22 126.41 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.25 -9.23 49.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.9 tpp -95.98 146.76 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -132.43 164.85 25.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 45' ' ' ALA . 4.6 mt -115.51 155.56 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . . . -141.95 128.06 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.726 ' CD1' ' CE2' ' A' ' 179' ' ' PHE . 3.8 mp -113.44 132.23 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 45' ' ' ALA . 49.0 m-85 -149.45 146.64 27.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.53 122.93 47.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 3.2 mtp -142.19 46.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 126' ' ' GLN . . . 63.99 -131.89 39.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -42.55 111.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 1.8 p90 -83.62 -8.94 59.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 189' ' ' TYR . 37.3 m0 -70.3 -54.16 13.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.01 -37.15 44.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 93.3 t -65.26 -57.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt0 -55.08 -30.32 59.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.619 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.8 ttt180 -59.6 -55.08 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CE1' HD13 ' A' ' 98' ' ' ILE . 3.2 m-85 -66.3 -52.19 49.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.626 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -67.41 -39.93 85.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.054 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.12 0.08 20.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -77.0 129.64 77.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.62 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 128.05 -3.24 6.84 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG11 ' CG2' ' A' ' 68' ' ' THR . 2.8 t -98.89 123.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -71.57 -44.53 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 m -165.32 161.69 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.412 ' CG2' HG11 ' A' ' 65' ' ' VAL . 80.6 p -134.44 167.31 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -158.29 149.28 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 52' ' ' PHE . . . -103.85 145.75 29.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.03 -172.45 31.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -127.16 153.17 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.41 ' OG1' ' OG1' ' A' ' 177' ' ' THR . 10.9 t -170.56 173.94 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.16 -8.22 72.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.21 -173.17 19.16 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -110.2 -31.38 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -51.46 117.72 9.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 138.14 22.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 0.8 OUTLIER 46.82 64.15 8.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.06 161.25 38.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.767 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' CG ' ' A' ' 84' ' ' GLU . 7.0 t -125.07 163.86 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -57.23 -41.77 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -54.14 50.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.2 mt-10 -61.84 -49.29 76.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.7 -49.39 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.5 t -51.49 -39.12 56.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -49.77 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.46 20.5 10.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -99.43 19.6 15.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 20.3 p -115.35 -32.07 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.95 2.79 87.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 89.5 m-70 -91.63 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.83 174.96 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -81.0 115.51 20.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.34 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 18.9 t -150.07 134.98 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.57 120.67 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.364 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 59' ' ' PHE . 5.2 mp -115.26 133.6 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' TYR . 95.6 t -111.47 114.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -131.3 164.69 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.98 138.79 22.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.92 -3.03 13.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -19.21 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.062 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 66.8 t -108.22 -61.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 tt -113.41 168.44 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -124.68 153.1 42.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 5.2 p90 -57.25 -27.5 62.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 24.7 tt0 -66.57 -40.67 89.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.87 -45.5 85.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 21.9 mt -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.582 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 57.1 mt -57.09 -43.06 81.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.572 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 11.8 tt0 -61.14 -36.06 78.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 62' ' ' LEU . 2.3 t -64.27 -44.47 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 7.0 m-30 -49.85 -52.09 35.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -67.39 -35.46 79.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 108.018 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.19 3.56 20.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 113' ' ' VAL . 36.9 t-20 -112.89 -44.69 3.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.469 ' NE2' ' NE2' ' A' ' 126' ' ' GLN . 6.1 m-70 -165.09 169.99 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.8 144.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.44 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.52 50.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' C ' ' CD ' ' A' ' 122' ' ' GLN . 0.7 OUTLIER -100.01 20.27 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 48.63 -134.71 20.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.71 61.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.95 160.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.469 ' NE2' ' NE2' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -145.68 132.21 19.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.581 1.175 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.39 -130.41 44.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -91.78 12.77 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.1 m-20 -106.92 130.87 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 1' ' ' SER . 42.1 m80 -119.77 144.8 47.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.27 158.52 8.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.7 m -78.34 -1.06 31.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.471 0.747 . . . . 0.0 110.368 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.79 -11.05 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 26.0 m-85 -104.07 52.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -94.47 -175.25 3.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.8 t -117.33 125.59 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.25 150.51 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 25.9 mt -125.01 130.58 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -121.26 84.7 41.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.32 -36.06 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.428 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 58.9 p -91.63 161.52 33.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -27.35 10.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.16 -32.74 61.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -72.0 -39.1 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 142' ' ' THR . 2.7 m-20 -59.34 -50.09 75.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.05 81.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -62.7 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . . . -58.05 -54.11 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.241 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -63.15 -37.05 85.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.51 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 13.0 p -77.99 -33.33 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.049 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' A' ' 171' ' ' THR . 5.9 tt -57.67 -51.14 70.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.54 -34.03 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -69.05 -42.59 76.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -63.1 -42.25 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.45 -37.76 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.15 -43.42 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.85 -53.42 56.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 17.5 mtp -58.05 -48.44 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.1 mp -56.78 -39.38 73.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.63 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -91.77 9.0 34.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.22 24.2 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.31 104.69 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.76 15.13 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -50.55 145.81 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -91.97 121.38 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.599 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.13 130.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 73.8 p -116.57 14.94 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.401 ' CG2' HD11 ' A' ' 153' ' ' LEU . 2.6 t -86.88 146.63 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.85 142.45 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.91 127.96 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.9 161.78 39.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -49.85 161.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.88 127.44 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.524 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 7.1 p -100.3 171.26 5.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.726 ' CE2' ' CD1' ' A' ' 46' ' ' ILE . 4.1 m-85 -69.0 148.9 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -109.7 125.95 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.22 136.59 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.93 169.27 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.72 135.41 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.3 -30.04 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -36.81 70.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -85.61 -48.57 8.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.406 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 33.8 mt-30 -50.13 130.84 23.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 1.3 mp0 65.07 39.32 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.634 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 11.7 t80 -59.93 -57.26 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -23.89 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.1 OUTLIER -74.78 -46.28 38.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.61 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -56.78 -37.69 71.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.44 ' N ' ' ND2' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -135.43 104.4 10.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.65 21.34 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -103.33 8.13 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.81 -155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.518 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 0.0 OUTLIER -100.22 119.93 39.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.763 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.3 p -113.83 -169.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 179.05 -38.0 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.452 ' CD1' ' CG ' ' A' ' 117' ' ' ASN . 16.4 tt -50.52 149.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 106.27 34.42 3.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.81 -79.53 0.14 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 170.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 128.71 68.0 0.12 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.424 1.078 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 17.8 t -69.64 130.6 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.96 177.38 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.45 160.1 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 166.83 28.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.43 24.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 149.78 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.227 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.51 -28.88 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -68.94 157.29 36.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.07 148.87 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -7.81 49.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -86.45 9.63 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -60.2 139.81 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.02 166.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 9.3 p -41.51 151.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.14 171.75 10.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.52 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.807 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.08 -26.84 60.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.13 -36.17 27.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.01 145.87 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.94 155.07 92.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.58 12.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.0 -165.68 14.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -127.38 176.09 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -96.45 70.97 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 p -121.61 99.41 45.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.84 29.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmt -94.28 138.07 22.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.68 29.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.96 149.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.99 166.31 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.8 m -77.5 -45.08 26.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 mt -115.38 157.34 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.453 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 58.8 t-80 -66.11 170.93 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.566 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . . . -72.8 -63.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 5.5 t -91.34 -52.55 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 38.1 m-80 -56.94 -28.79 62.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.23 20.87 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.416 1.073 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -100.37 170.22 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 0.729 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -60.99 119.95 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.11 -55.03 5.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 p -76.29 -42.86 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.74 129.71 37.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 44' ' ' ILE . 58.6 t -120.82 121.51 28.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -75.01 140.37 25.35 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.44 141.75 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.93 -32.43 5.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.462 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -114.46 158.45 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' OE1' ' CG2' ' A' ' 142' ' ' THR . 4.9 pt-20 -126.85 174.71 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.602 ' CG2' ' CG ' ' A' ' 97' ' ' ARG . 6.5 mt -105.25 148.57 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -133.57 126.99 32.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.744 ' CD1' ' CE1' ' A' ' 179' ' ' PHE . 3.7 mp -109.71 136.66 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 23.8 m-85 -147.61 144.17 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -114.85 120.71 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.403 ' O ' ' NE2' ' A' ' 126' ' ' GLN . 1.4 ttm -138.13 11.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 94.48 -128.34 9.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 20.3 p -41.86 110.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 31.0 p90 -85.94 -2.29 58.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.641 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 40.0 m0 -70.2 -60.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.96 -44.42 14.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG11 ' CD2' ' A' ' 59' ' ' PHE . 77.3 t -52.68 -57.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 6.1 tt0 -60.79 -33.71 73.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -69.53 -38.21 77.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -33.09 48.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -66.03 -53.7 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.01 -14.82 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.81 0.31 27.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' CD1' HG13 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -87.53 141.53 32.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 108.07 2.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.82 -2.78 6.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 HG13 ' CG2' ' A' ' 68' ' ' THR . 49.5 t -85.25 111.71 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 1.4 t80 -70.5 -43.64 69.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.13 165.03 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' HG13 ' A' ' 65' ' ' VAL . 67.9 p -149.35 143.55 25.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 160.3 40.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.85 140.76 47.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -158.86 -168.68 21.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.62 151.18 51.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -167.44 168.96 12.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.2 -20.83 30.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -106.86 179.35 22.48 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -99.64 -26.49 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.419 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 46.1 m -50.99 114.09 4.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.5 13.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 180' ' ' TYR . 25.1 m-20 48.83 64.15 9.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.98 166.51 29.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.553 1.818 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.9 p -117.79 156.64 27.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.6 t80 -51.14 -39.32 56.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -52.7 39.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -56.47 -47.77 78.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.434 ' CG1' ' OE1' ' A' ' 133' ' ' GLN . 78.1 t -63.64 -44.47 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -30.99 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -50.15 44.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 105.89 7.2 36.44 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.81 17.69 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -25.71 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.41 0.36 66.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 87.7 m-70 -87.38 155.36 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.668 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.07 173.3 8.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.0 tm-20 -75.8 117.99 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.01 158.88 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 m -142.13 153.59 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.602 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -101.75 137.35 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' ALA . 5.2 mp -133.42 116.45 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.4 t -98.99 119.18 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.487 ' CD2' ' CD1' ' A' ' 110' ' ' LEU . 3.9 p90 -137.01 165.32 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.69 135.29 20.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -9.43 20.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -89.71 -18.12 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.4 t -108.27 -56.46 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.3 tt -117.16 163.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -115.11 153.54 30.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 11.3 p90 -61.93 -27.35 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.8 tm-20 -65.74 -37.78 87.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.9 -39.54 87.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.487 ' CD1' ' CD2' ' A' ' 100' ' ' TYR . 45.8 mt -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.529 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 5.0 mt -72.87 -33.24 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.575 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -60.59 -40.58 92.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -70.29 -35.37 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.39 -49.8 71.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.68 -23.46 58.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.977 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -92.19 5.73 49.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 113' ' ' VAL . 11.6 t-20 -116.15 -34.83 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 126' ' ' GLN . 75.2 t60 -170.11 168.52 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.33 140.63 22.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.486 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -75.04 0.65 8.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 169' ' ' ILE . . . -104.22 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -14.98 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.78 -143.97 44.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.4 mtt -86.59 46.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.407 0.71 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 143.59 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -130.07 150.93 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.93 -128.34 25.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -103.75 15.67 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' CG ' ' A' ' 134' ' ' TYR . 1.2 p30 -113.94 145.22 41.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.562 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.82 157.21 7.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.6 m -78.8 0.13 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.434 ' OE1' ' CG1' ' A' ' 85' ' ' VAL . 10.7 tt0 -95.05 -22.83 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.436 ' CG ' ' OD1' ' A' ' 129' ' ' ASP . 29.9 m-85 -91.28 43.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -88.65 -177.69 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.72 136.95 54.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.41 144.82 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 22.4 mt -117.44 124.34 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -115.02 87.75 15.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 162.04 37.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.7 mp -110.84 -24.81 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.485 ' CG2' ' OE1' ' A' ' 43' ' ' GLU . 8.3 p -109.83 162.37 20.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.87 11.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.9 -32.58 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -74.49 -32.0 62.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -51.41 44.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.1 89.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.69 -41.05 65.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.89 -52.99 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -32.7 74.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.67 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.417 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 4.8 p -78.61 -32.03 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.13 -52.13 60.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.06 78.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -66.81 -43.6 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.486 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 8.6 t80 -61.73 -38.18 86.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -51.67 -40.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.98 32.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.24 -56.79 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -56.13 -36.06 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.468 ' N ' ' SD ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -58.67 -39.95 82.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.91 67.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -81.99 1.21 36.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.17 31.69 5.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.43 118.86 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.63 16.4 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 8.1 mmt180 -89.77 87.96 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 31.8 t60 -59.71 129.06 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.658 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -52.29 134.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -105.91 -18.76 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.448 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 12.4 t -45.35 131.97 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 129.74 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.3 133.32 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.59 155.27 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.06 146.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.12 117.95 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.618 ' O ' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -89.69 169.13 13.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.744 ' CE1' ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -84.68 138.75 32.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 0.9 OUTLIER -104.43 130.73 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.436 ' OH ' ' NH2' ' A' ' 97' ' ' ARG . 58.6 m-85 -60.89 135.87 57.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.87 170.01 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.17 156.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -40.97 96.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -38.77 40.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 72.4 m-70 -79.09 -46.67 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.8 117.38 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 50.27 58.05 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.5 t80 -74.25 -35.47 63.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -13.82 62.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 29' ' ' ALA . 19.0 t60 -82.62 -37.44 24.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -24.97 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.27 113.41 8.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.93 13.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -108.49 14.84 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.38 -154.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.17 111.48 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 0.728 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.27 163.35 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 177.14 -41.2 0.1 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.471 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 15.8 tt -56.39 148.79 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 144.77 53.78 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.18 139.45 2.71 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 203' ' ' ILE . 0.2 OUTLIER -128.69 -44.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 64.02 58.13 11.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 207' ' ' LEU . 73.1 t -137.5 151.22 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 0.697 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 86.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 208' ' ' PRO . 0.7 OUTLIER -80.32 -58.5 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -74.95 162.92 36.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.4 1.737 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 127.44 10.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.92 140.92 51.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.223 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tp -109.96 15.03 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -87.07 116.65 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -139.97 87.54 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -87.3 30.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.2 10.1 30.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 132' ' ' THR . 16.3 m80 -67.84 -54.32 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.9 161.09 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -132.62 158.03 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.89 167.15 13.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.07 -43.06 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.73 -15.49 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.66 -35.4 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.7 151.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD1' ' NH1' ' A' ' 18' ' ' ARG . 1.1 mm? -56.49 109.35 1.62 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 71.89 4.84 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.35 166.16 29.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' NH1' ' CD1' ' A' ' 15' ' ' LEU . 1.1 tpt180 -169.42 173.07 6.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -49.31 172.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 21' ' ' PRO . 1.7 m -67.2 148.24 98.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.99 151.12 39.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 22' ' ' MET . 2.5 mpp? -61.79 152.4 76.02 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 159.67 40.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.563 1.823 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -101.86 150.76 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.41 166.95 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -77.65 -45.06 26.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mt -135.97 165.24 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CE1' ' H ' ' A' ' 30' ' ' VAL . 58.9 t-80 -55.29 167.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' CB ' ' HG3' ' A' ' 188' ' ' GLN . . . -71.67 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 10.4 t -90.69 -47.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.74 -29.62 66.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 48.68 22.02 2.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t60 -100.53 170.11 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 109.58 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -49.35 125.84 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 2.2 mmt -79.38 -48.83 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 p -92.97 -49.7 5.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.32 126.63 21.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.47 125.18 27.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.82 38.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.94 137.41 57.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.3 6.58 58.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.401 ' SD ' ' OD1' ' A' ' 101' ' ' ASP . 22.8 mmt -111.83 169.43 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -149.87 162.73 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 97' ' ' ARG . 10.5 mt -119.24 151.01 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.85 124.14 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' HB ' ' CB ' ' A' ' 139' ' ' TYR . 2.3 mp -90.04 126.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 2.0 m-85 -131.37 140.49 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.34 109.49 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 6.1 mtp -135.53 32.27 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -129.69 9.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -43.42 108.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 35.0 p90 -82.46 -3.18 55.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 45.8 m0 -71.15 -51.82 22.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.1 -30.7 54.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 44.4 t -69.86 -57.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 16.6 pt-20 -51.92 -48.14 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -71.39 -26.42 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -68.92 -37.85 79.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 98' ' ' ILE . 18.0 m-85 -84.19 -35.0 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -51.57 67.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.23 -17.64 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.62 137.94 90.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 119.67 5.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.84 -11.86 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 68' ' ' THR . 71.0 t -95.08 114.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -68.9 -39.54 79.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -169.19 164.44 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' HG11 ' A' ' 65' ' ' VAL . 33.9 p -140.22 154.63 46.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -142.52 146.88 35.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.47 149.97 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.5 -173.01 36.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -136.83 146.77 46.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 11.3 t -168.79 163.06 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.363 1.039 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.19 -17.48 19.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.596 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.1 -157.87 33.47 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 54.7 m-85 -119.48 -33.87 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 42.2 m -55.43 130.05 69.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 39.76 65.27 3.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.13 169.06 23.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -91.85 163.03 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -69.51 -32.73 71.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -63.59 -39.19 93.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.402 1.064 . . . . 0.0 110.25 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 20.4 mt-10 -69.32 -45.36 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.7 t -54.58 -50.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.93 -41.97 59.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 108.259 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -63.97 -48.46 76.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.073 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.2 29.49 7.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -13.81 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 5.1 p -94.69 -33.67 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.67 60.8 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.596 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 68.8 m-70 -57.75 140.9 50.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.62 153.05 22.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.96 114.49 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.14 168.31 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 43.8 t -147.72 133.56 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 1.2 ttm180 -84.9 122.36 29.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.505 HD12 ' CE2' ' A' ' 59' ' ' PHE . 2.2 mp -108.36 127.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 46.0 t -112.11 120.94 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 p90 -149.89 166.21 30.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -107.38 136.81 19.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 1.06 8.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -18.63 25.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.5 t -113.36 -60.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.4 tt -105.08 162.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 p -125.27 161.95 25.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 145' ' ' GLN . 26.9 m-85 -55.31 -39.29 69.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -42.54 95.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -61.98 -35.06 77.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 34.5 mt -75.32 -34.66 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.455 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 35.2 mt -75.45 -42.72 52.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.569 ' HA ' ' CH2' ' A' ' 115' ' ' TRP . 2.7 pt20 -55.77 -40.61 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -70.9 -36.23 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.552 ' CE2' HD11 ' A' ' 138' ' ' ILE . 6.2 t80 -45.78 -52.44 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -76.51 -33.57 58.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -7.19 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.446 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 13.0 t-20 -117.99 -50.34 2.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 16.4 t60 -144.0 130.27 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 18.4 p-10 -74.26 142.96 79.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.469 ' CB ' ' HB ' ' A' ' 171' ' ' THR . 18.1 Cg_endo -75.05 0.15 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.04 47.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.45 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 1.2 tt0 -95.54 -18.14 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.26 -171.44 44.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 mtp -74.6 59.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 0.72 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 160.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.71 124.61 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.01 -116.14 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -97.42 2.94 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.93 116.79 30.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.33 144.56 34.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.49 164.86 12.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 7' ' ' HIS . 30.3 p -83.0 -3.66 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -97.63 -7.77 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -109.3 39.57 2.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -100.01 164.53 11.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 110.213 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.9 p -88.51 136.87 32.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.0 135.02 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.552 HD11 ' CE2' ' A' ' 114' ' ' PHE . 13.8 mt -112.76 120.66 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.474 ' CE1' HG23 ' A' ' 177' ' ' THR . 8.9 m-85 -116.55 85.08 15.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.46 41.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -26.58 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 74.3 p -103.6 161.01 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.28 10.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.0 -32.32 61.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.573 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 45.9 tt0 -70.03 -44.9 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -48.38 76.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.66 97.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.09 87.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.414 ' N ' HD13 ' A' ' 111' ' ' LEU . . . -57.69 -54.07 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -61.45 -39.61 91.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.11 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.6 p -63.34 -42.42 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' A' ' 171' ' ' THR . 9.9 tt -61.2 -52.22 65.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.85 -34.55 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -40.28 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.401 ' O ' ' CG ' ' A' ' 160' ' ' MET . 88.2 t80 -59.91 -42.4 93.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.68 -39.5 58.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.88 37.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.97 -56.65 16.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.414 ' HE1' ' CB ' ' A' ' 167' ' ' ARG . 0.0 OUTLIER -60.28 -33.88 72.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.42 -43.0 98.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 208' ' ' PRO . . . -65.3 -18.74 65.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.11 -2.67 58.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 10.2 t0 79.09 25.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -109.72 108.71 19.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.98 16.58 8.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.414 ' CB ' ' HE1' ' A' ' 160' ' ' MET . 0.0 OUTLIER -50.39 132.87 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -82.98 126.37 32.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.4 129.01 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 15.0 t -104.91 -29.52 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 2.1 t -41.72 133.26 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.6 133.34 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.1 mt -107.54 118.0 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.27 156.76 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.95 141.39 28.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -49.45 125.18 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.474 HG23 ' CE1' ' A' ' 139' ' ' TYR . 1.3 p -95.95 164.05 19.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 73.92 4.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -73.54 149.95 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 8.8 m-85 -112.38 138.79 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.496 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 5.4 m-85 -62.88 143.07 57.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -85.03 170.05 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.44 157.57 3.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -42.37 97.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -37.37 37.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.86 -32.63 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.94 127.43 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER 54.34 41.29 32.06 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.581 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 20.4 t80 -62.74 -59.87 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -23.05 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' ARG . 11.8 m170 -76.7 -47.07 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.13 106.03 19.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -11.11 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -102.87 12.47 36.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -69.83 -168.39 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.33 115.6 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.7 p -140.41 167.23 22.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 147.01 -44.53 0.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.2 tt -50.05 149.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 119.15 34.81 0.99 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.83 16.05 1.98 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.446 ' CD1' ' N ' ' A' ' 204' ' ' GLY . 0.2 OUTLIER -130.41 145.34 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 0.78 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.446 ' N ' ' CD1' ' A' ' 203' ' ' ILE . . . 130.32 85.71 0.39 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.3 p -69.66 152.14 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.5 m -104.16 156.36 17.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.387 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 153.74 82.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 162' ' ' ALA . 18.3 Cg_endo -75.03 164.11 33.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 126.89 10.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -70.65 -39.92 73.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.32 -44.75 4.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -139.78 148.13 41.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.45 -2.65 9.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . 2.0 mtpp -87.23 29.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mppt? -80.98 4.85 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -59.32 141.0 55.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 109.586 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 tp -48.78 158.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -138.89 169.09 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.01 171.72 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.0 -40.79 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.77 -21.36 60.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -35.23 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.76 149.64 4.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 89' ' ' ASP . 0.6 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.14 174.51 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -143.14 166.05 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -100.89 77.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -142.48 99.4 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.1 18.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 180' ' ' TYR . 0.1 OUTLIER -120.27 116.53 32.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.06 40.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 37.1 t -127.4 159.89 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -67.58 157.66 33.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 m -77.97 -44.89 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.29 158.17 25.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 68' ' ' THR . 58.7 t-80 -58.97 170.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' N ' ' ND1' ' A' ' 28' ' ' HIS . . . -73.02 -65.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 14.2 t -91.22 -53.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.438 HD21 ' CD2' ' A' ' 28' ' ' HIS . 71.9 m-80 -56.7 -27.0 58.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 45.7 22.93 0.82 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -100.36 170.37 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.641 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.55 119.03 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 mtp -81.71 -54.13 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -78.93 -56.08 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -61.28 128.21 35.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.7 137.53 19.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 143.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.806 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 127.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.63 51.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.558 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -93.85 165.28 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -142.17 162.99 34.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' CG2' ' HG3' ' A' ' 97' ' ' ARG . 5.5 mt -112.77 151.89 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.65 124.79 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.4 mt -97.86 125.59 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -138.48 146.86 42.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.91 113.67 14.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 1.0 OUTLIER -130.08 12.43 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 95.67 -127.16 9.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -41.5 109.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 32.8 p90 -86.64 -1.82 58.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 50.0 m0 -70.12 -61.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.71 -43.22 15.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 55.7 t -52.44 -57.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.599 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 tt0 -64.45 -33.28 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 tmt_? -64.55 -38.12 89.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' CD2' ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -81.06 -40.68 23.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.83 -56.76 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -63.5 -15.75 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 2.6 mm-40 -85.81 -10.24 55.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -69.66 139.01 88.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.79 2.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.46 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 128.65 -2.98 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -92.71 114.43 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.558 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -73.45 -45.98 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.23 155.8 41.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 4.4 m -150.91 141.49 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -139.49 159.74 41.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.22 148.36 31.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.08 -158.7 11.67 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' O ' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -146.65 150.88 36.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -170.63 167.22 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.92 -16.45 15.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.89 -169.82 43.86 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.523 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 98.4 m-85 -110.07 -32.74 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.5 m -53.38 125.52 43.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.6 Cg_endo -74.95 142.56 28.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.554 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 1.3 m120 43.69 62.58 9.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' CE1' ' A' ' 72' ' ' TYR . 18.2 Cg_endo -75.01 158.9 41.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 m -125.08 150.03 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 t80 -55.49 -29.93 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -62.12 -57.51 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' OE2' ' CG2' ' A' ' 90' ' ' THR . 6.5 pt-20 -66.26 -37.61 85.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 t -50.0 -49.58 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -29.04 26.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.238 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -69.78 -28.26 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.88 13.51 83.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.584 1.177 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' CB ' HD13 ' A' ' 15' ' ' LEU . 17.6 m-20 -100.13 25.02 7.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.502 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 5.4 p -120.28 -35.69 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.02 -8.46 78.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 66.9 m-70 -80.12 147.78 31.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.03 175.47 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.88 115.53 21.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.21 168.47 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.76 131.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' HG3' ' CG2' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -91.04 125.29 35.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 59' ' ' PHE . 2.7 mp -116.38 133.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' TYR . 18.6 t -116.21 115.02 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -136.13 164.97 26.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.02 139.48 20.15 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.98 20.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -90.12 -24.21 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.46 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 48.2 t -97.47 -59.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.4 tt -119.45 163.61 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 p -116.41 159.12 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.6 p90 -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.631 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -63.59 -40.79 97.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.24 -33.38 75.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.4 mt -73.04 -50.29 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.482 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 2.6 mt -59.67 -41.31 90.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.602 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 3.2 tt0 -55.07 -52.08 64.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 117' ' ' ASN . 34.5 t -52.84 -35.53 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 7.8 t80 -53.75 -46.63 70.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.602 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -88.14 -18.76 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 113' ' ' VAL . 3.9 m-80 -131.06 -50.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 51.0 t60 -108.9 170.69 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.548 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 10.4 t0 -116.38 136.49 23.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' OD1' ' A' ' 119' ' ' ASP . . . -129.2 50.26 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG3' ' CE1' ' A' ' 118' ' ' HIS . 1.9 mm-40 -84.42 -20.37 31.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 -166.94 48.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.488 ' CE ' ' HB ' ' A' ' 132' ' ' THR . 0.8 OUTLIER -77.33 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 111.046 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 8.7 ptt-85 179.94 170.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.76 122.1 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.03 -123.85 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -91.58 -1.73 57.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 0.803 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.65 131.84 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.7 p80 -116.67 147.42 41.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.79 175.88 28.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.488 ' HB ' ' CE ' ' A' ' 124' ' ' MET . 1.9 t -89.88 -13.46 36.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -89.33 -6.7 56.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -106.87 29.12 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -89.51 178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.11 131.53 55.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.09 144.97 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 66.5 mt -117.68 129.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -124.15 85.65 54.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 164.5 33.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.85 -21.76 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.5 p -112.97 162.92 19.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.5 6.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.68 -31.23 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -72.64 -40.41 66.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.45 85.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.42 83.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.04 70.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.08 -54.24 49.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 12.2 ptm180 -64.23 -31.68 72.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 155' ' ' ARG . . . -69.08 -45.55 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.6 p -58.14 -33.76 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 7.9 tt -70.09 -51.22 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.21 -32.54 73.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 151' ' ' ALA . 47.0 ttt-85 -71.99 -41.42 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -74.03 -37.92 64.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -57.76 -27.56 63.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.04 -33.93 44.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.36 -54.97 18.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.463 ' HE2' ' CB ' ' A' ' 167' ' ' ARG . 26.9 ptm -57.18 -34.48 68.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -44.38 87.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.61 -17.52 60.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.35 16.96 12.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 62.63 19.69 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.71 105.28 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -89.32 15.64 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.463 ' CB ' ' HE2' ' A' ' 160' ' ' MET . 0.2 OUTLIER -49.99 155.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -97.87 127.47 43.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.578 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -66.59 119.49 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.87 -33.83 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.7 m -46.81 130.81 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.87 128.06 39.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 4.8 mt -97.4 121.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.19 147.49 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -41.47 139.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -55.59 118.0 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 3.1 p -98.94 163.11 19.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.763 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -102.69 150.32 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.554 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -110.14 139.18 45.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -63.28 141.19 58.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.94 160.95 18.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.95 158.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.5 -30.13 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -37.15 85.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.5 m-70 -80.06 -51.15 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -51.77 123.11 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 49.31 53.52 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.587 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.8 t80 -69.62 -48.2 60.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.4 -9.75 50.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -25.43 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.82 100.88 9.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -14.58 20.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -108.86 20.95 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -76.53 -168.03 26.95 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 109.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 0.778 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 42.7 t -140.24 127.11 20.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -129.75 -56.66 0.1 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.06 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.6 tt -49.87 140.32 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.382 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 157.71 43.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.416 1.073 . . . . 0.0 111.017 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 161.28 41.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.88 128.26 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 121.27 90.28 1.1 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 131.38 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.786 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 33.1 m -120.36 77.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.79 97.1 44.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.47 11.48 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.533 1.807 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -38.99 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.86 60.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.17 -44.98 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -127.7 159.88 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.38 143.74 42.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -87.22 24.33 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.53 6.61 19.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -74.87 131.66 40.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 HD11 ' CG2' ' A' ' 132' ' ' THR . 4.0 tp -103.09 130.64 50.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.64 152.54 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.79 167.23 15.8 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.942 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -35.94 2.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.42 61.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -33.49 8.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.98 147.71 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.89 148.4 13.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.35 19.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.42 169.31 29.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -131.89 159.91 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.781 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -87.04 81.41 8.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -133.86 99.42 13.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.394 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.94 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm -111.62 118.77 46.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.38 143.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.85 150.15 7.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 m -76.82 -31.05 56.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mt -135.43 158.37 44.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 49.9 t-80 -57.98 163.96 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -74.77 -54.78 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -91.15 -52.12 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 1.9 t30 -57.33 -34.48 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 60.46 12.69 26.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -100.74 167.95 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.614 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -52.95 119.83 5.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mmm -80.24 -43.58 21.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.9 p -74.82 -53.87 8.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 129.64 41.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 1.3 t -121.85 135.02 24.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 148.7 35.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.0 126.8 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.12 -9.7 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.404 ' SD ' ' C ' ' A' ' 100' ' ' TYR . 34.9 tpp -91.73 157.64 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -138.32 165.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.4 mt -119.22 151.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -139.33 125.31 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.709 ' CD1' ' CE2' ' A' ' 179' ' ' PHE . 2.6 mp -105.67 131.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -142.95 149.0 37.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.74 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.594 ' HE1' ' CD1' ' A' ' 114' ' ' PHE . 5.6 ttm -136.53 16.38 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 -130.65 10.38 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -43.85 110.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 23.7 p90 -83.63 0.45 46.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.801 ' CZ3' ' CE2' ' A' ' 189' ' ' TYR . 30.1 m0 -70.94 -61.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.84 -43.06 15.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 75.5 t -52.8 -47.01 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 82.3 tt0 -69.27 -32.05 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.646 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 ttt180 -61.68 -56.07 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.19 72.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -52.91 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.646 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.52 -21.21 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.081 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.61 0.44 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 113' ' ' VAL . 7.1 mt -86.11 142.47 36.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 113.9 3.9 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.23 -13.63 9.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' CG2' ' A' ' 98' ' ' ILE . 18.6 t -82.62 120.09 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.409 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.1 t80 -73.57 -56.07 5.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -153.47 164.12 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.1 p -133.13 160.82 36.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.566 ' HB3' ' CE2' ' A' ' 181' ' ' TYR . . . -147.54 151.25 36.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.01 120.34 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.8 177.47 20.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -120.31 151.82 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -169.61 177.02 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.66 -26.15 19.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.75 -166.76 42.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -115.8 -34.36 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 0.815 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 54.2 m -52.6 117.92 11.87 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.613 1.196 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 125.81 9.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 19.8 t-20 58.99 63.79 3.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.472 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.9 163.87 34.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.823 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.5 p -121.26 158.62 27.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -51.12 -45.52 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -60.04 -52.44 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.4 mt-10 -55.22 -49.6 71.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -61.23 -41.15 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -36.24 62.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -49.64 58.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.16 16.44 25.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.77 15.9 22.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 2.5 p -111.8 -29.35 7.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.08 0.3 69.65 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 81.5 m-70 -79.86 150.94 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.54 169.79 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.51 115.69 21.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.81 166.69 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 83.9 t -146.72 135.03 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -93.88 118.32 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.471 ' CG2' HG22 ' A' ' 65' ' ' VAL . 4.9 mp -108.74 126.97 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' TYR . 14.7 t -108.54 118.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.404 ' C ' ' SD ' ' A' ' 42' ' ' MET . 41.6 p90 -141.4 161.7 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.95 133.51 20.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.36 9.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -90.33 -18.97 24.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.4 t -112.04 -61.65 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 21.4 tt -109.65 166.58 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 p -122.87 154.04 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 17.2 p90 -58.04 -35.41 71.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.644 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 tt0 -57.86 -47.67 82.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -58.18 -35.32 71.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.0 mt -70.19 -44.26 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.606 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.9 OUTLIER -67.46 -45.04 77.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -36.52 71.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -69.53 -36.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.594 ' CD1' ' HE1' ' A' ' 49' ' ' MET . 30.2 t80 -54.72 -52.92 60.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 2.2 m95 -73.2 -19.11 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -97.9 8.85 44.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 113' ' ' VAL . 65.1 t30 -111.6 -50.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.42 ' CD2' HG13 ' A' ' 200' ' ' ILE . 0.6 OUTLIER -150.41 167.77 26.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.613 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.24 115.28 64.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' HG3' ' CE3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.05 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.71 48.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -100.0 -18.65 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 88.5 -151.72 22.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.3 54.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -179.95 150.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.2 126.95 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.47 -120.04 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.96 10.64 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.9 m-20 -110.38 127.81 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.24 153.17 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.646 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.59 162.82 10.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 8' ' ' LEU . 94.2 m -84.37 -3.47 58.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 0.711 . . . . 0.0 110.373 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.23 -9.63 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 36.5 m-85 -97.58 37.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -76.86 -170.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.7 m -139.52 134.94 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.47 148.13 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.8 133.39 59.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -129.58 89.83 45.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 176.02 10.48 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -111.06 -28.54 8.26 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -116.94 168.08 9.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.84 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.44 1.758 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.66 -34.91 78.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -73.22 -37.05 66.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -49.13 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.05 69.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.23 -41.91 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.05 -52.29 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -66.02 -31.94 73.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.98 -48.51 52.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.1 p -56.53 -43.91 80.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 5.3 tt -64.45 -45.63 86.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.48 -42.34 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -46.36 35.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.0 -45.74 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -51.97 -34.66 43.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -76.72 -33.91 58.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -55.7 17.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 165' ' ' ASP . 4.0 ptm -58.96 -33.69 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.6 OUTLIER -63.13 -39.06 93.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.44 -19.09 64.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.51 15.64 10.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.8 t0 67.33 24.61 8.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 160' ' ' MET . 7.1 t70 -89.37 87.08 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -4.64 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.057 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 150.75 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -97.56 139.66 33.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.4 118.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.0 t -94.45 -8.19 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 12.7 t -80.25 148.99 30.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 110.427 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.91 149.33 43.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp -101.04 133.42 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.87 161.91 40.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.89 158.81 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -78.4 124.29 27.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -102.13 178.64 1.16 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.459 1.1 . . . . 0.0 110.399 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.1 Cg_endo -75.02 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.709 ' CE2' ' CD1' ' A' ' 46' ' ' ILE . 9.2 m-85 -71.35 144.19 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 37.0 m-85 -110.97 119.91 40.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 7.3 m-85 -60.36 133.14 55.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -89.96 169.48 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.58 136.97 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.83 -37.69 52.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -25.61 6.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 97.8 m-70 -98.43 -47.21 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 188' ' ' GLN . 13.6 mt-30 -51.55 134.29 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 187' ' ' GLN . 7.7 pt20 34.78 49.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.801 ' CE2' ' CZ3' ' A' ' 53' ' ' TRP . 41.5 t80 -60.82 -32.32 71.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.436 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -60.99 -18.8 59.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.572 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -71.12 -35.68 71.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -44.77 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.41 ' OD1' ' CE2' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -132.37 114.42 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -16.12 20.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 195' ' ' TYR . 3.2 p90 -105.05 23.91 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -78.1 -167.92 31.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -86.15 129.3 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 199' ' ' GLY . 26.6 p -119.49 -44.18 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . 0.413 ' N ' ' SG ' ' A' ' 198' ' ' CYS . . . 75.01 -54.36 2.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.42 HG13 ' CD2' ' A' ' 118' ' ' HIS . 15.8 tt -49.72 149.37 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -167.92 81.98 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 66.99 178.46 10.05 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 115' ' ' TRP . 5.5 pt -111.03 -36.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 92.72 -24.86 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 20.2 t -78.84 151.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 30.7 p -116.51 151.05 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 108.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 207' ' ' LEU . 0.0 OUTLIER -141.49 157.51 65.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 123.38 7.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.39 102.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.43 -44.43 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.75 110.33 20.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.14 26.43 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -3.63 43.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.44 3.57 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -84.29 71.37 10.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.636 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 132' ' ' THR . 10.7 tp -122.06 150.73 41.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 p -61.34 150.35 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -92.27 178.89 1.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.98 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.29 -16.82 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.45 -37.21 18.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 160.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 113.3 56.68 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.49 106.17 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -90.2 138.34 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.18 170.79 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -69.07 144.31 95.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.462 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 137.19 21.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.54 157.09 58.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.39 25.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.61 159.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 158.11 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 m -75.92 -31.55 59.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.4 mt -134.51 175.26 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.2 t-80 -72.28 168.14 18.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -64.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.61 ' CG1' ' CZ2' ' A' ' 60' ' ' TRP . 2.8 t -90.82 -48.29 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -57.92 -30.76 66.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 53.31 18.8 7.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 33.8 m170 -100.26 167.32 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.569 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -69.79 119.7 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -55.04 5.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.6 p -56.81 -53.29 59.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.86 126.85 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 t -116.83 136.14 23.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.526 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 150.11 37.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.31 129.73 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.84 -19.9 34.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.75 167.05 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.99 165.16 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 HG22 ' CD ' ' A' ' 97' ' ' ARG . 6.8 mt -113.44 155.29 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.378 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' HG23 ' A' ' 44' ' ' ILE . . . -150.04 125.84 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mt -97.89 129.14 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -134.74 139.67 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -122.35 109.97 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.1 mtp -131.27 34.62 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 77.67 -132.07 11.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 1.9 t -40.53 112.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.6 p90 -83.78 -2.58 56.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.64 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.0 m0 -70.42 -60.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.93 -43.02 18.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 57.2 t -52.86 -52.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -60.16 -41.72 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -61.33 -37.11 82.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD11 ' OD1' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -68.56 -34.51 75.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.11 -33.24 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.61 ' CZ2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.51 -37.0 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -77.83 -8.4 57.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' HG11 ' A' ' 113' ' ' VAL . 2.3 mt -68.95 134.91 89.72 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.97 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.55 -7.34 11.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -86.68 119.81 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.24 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 5.7 t80 -72.33 -46.17 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -165.15 167.52 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.1 p -139.54 164.77 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.436 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -154.72 137.06 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 147.17 23.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 179' ' ' PHE . . . -170.8 -171.51 36.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 20.7 m-85 -136.72 144.66 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 3.1 t -170.61 177.91 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 103.71 -16.48 51.4 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.588 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -90.96 -157.71 33.98 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -116.15 -40.95 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.465 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 96.0 m -49.61 119.37 9.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -75.02 133.34 16.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 47.33 63.94 9.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.075 . . . . 0.0 109.232 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.04 169.9 21.58 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 m -116.44 152.9 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -45.43 52.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -43.68 98.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -62.75 -47.29 84.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.33 -36.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.6 t -57.3 -38.24 73.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -66.58 -45.62 78.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.72 19.63 26.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -98.41 15.35 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -112.08 -35.03 5.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.49 69.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.588 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.1 m-70 -67.85 148.82 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.678 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.27 168.84 10.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 31.3 mt-10 -75.06 116.18 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.74 157.06 47.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 91.1 t -140.45 141.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.09 121.34 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.8 t -108.78 114.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -133.84 165.88 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.35 136.11 20.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 0.98 8.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -27.66 19.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.3 t -106.11 -61.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.5 tt -109.56 160.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 p -121.46 141.21 51.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.556 ' CE2' HD13 ' A' ' 111' ' ' LEU . 48.0 t80 -44.99 -35.78 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.91 -42.23 93.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 113' ' ' VAL . 62.5 mt -66.0 -34.38 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 107' ' ' TYR . 17.0 mt -76.12 -30.44 58.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -55.29 21.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 114' ' ' PHE . 3.5 p -54.5 -42.6 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.476 ' N ' HG13 ' A' ' 113' ' ' VAL . 25.7 t80 -46.61 -56.43 6.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.805 ' CZ2' ' CD2' ' A' ' 156' ' ' PHE . 11.0 m0 -57.46 -28.64 63.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.7 tt0 -91.16 6.85 43.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' A' ' 58' ' ' LEU . 28.6 m120 -113.07 -40.24 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -169.61 169.53 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.387 1.055 . . . . 0.0 109.574 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 121' ' ' ALA . 12.8 t70 -102.44 141.72 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.576 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.99 28.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -140.11 49.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -104.03 -1.52 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.77 -156.23 43.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.428 1.08 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 ptp -90.16 63.63 5.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.73 145.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.625 1.203 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 30.3 tt0 -128.35 116.4 19.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.81 -123.2 23.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -85.72 8.9 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 9.0 m-20 -102.91 125.81 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -119.79 138.35 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.576 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.41 165.15 14.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 8' ' ' LEU . 81.4 p -85.61 -0.2 54.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.741 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.405 ' O ' ' OE1' ' A' ' 94' ' ' GLU . 5.7 mp0 -92.85 -7.33 46.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 57.6 m-85 -103.69 37.44 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 148.77 23.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.7 p -96.06 137.43 35.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -168.49 147.37 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.478 ' HB ' ' CD1' ' A' ' 173' ' ' ILE . 26.4 mt -110.58 124.8 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.77 89.52 38.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -118.69 -38.25 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 p -98.62 165.56 14.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.38 4.59 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.23 -30.33 70.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 78.5 mt-30 -73.76 -40.56 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.41 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.13 -41.67 66.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.46 -54.37 46.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.55 -43.22 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 156' ' ' PHE . 1.4 p -70.89 -35.68 72.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.465 HD12 ' CG2' ' A' ' 171' ' ' THR . 8.8 tt -57.28 -50.96 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.97 -35.5 76.93 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -26.0 53.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.805 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -68.77 -44.5 73.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -34.28 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.63 -41.13 24.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.228 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.91 -56.21 23.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.441 ' HA ' ' CG1' ' A' ' 205' ' ' VAL . 3.8 ptt? -62.87 -35.55 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.15 -44.83 92.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.22 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.5 9.46 23.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.48 28.06 3.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.41 99.87 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.45 18.52 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.433 ' O ' ' CE ' ' A' ' 160' ' ' MET . 24.1 mtt180 -52.77 163.64 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -100.42 131.46 46.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.404 ' CG2' HG22 ' A' ' 171' ' ' THR . 51.0 mt -67.89 94.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 18.2 p -71.6 -9.46 58.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.9 OUTLIER -69.97 149.03 48.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.88 144.24 51.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 138' ' ' ILE . 24.9 mm -109.74 130.45 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -153.77 159.21 41.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.97 158.78 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -65.95 118.79 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 21.9 p -97.94 163.15 20.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 85.83 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -81.97 151.91 26.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.506 ' CD1' ' C ' ' A' ' 180' ' ' TYR . 0.3 OUTLIER -101.48 130.18 47.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -59.56 127.08 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -68.51 170.0 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.1 161.56 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.01 -37.37 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -34.03 69.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -83.52 -41.98 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.81 122.83 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 47.59 53.64 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 64.0 t80 -62.79 -53.21 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.067 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.41 HD12 ' CZ ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -47.67 -27.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.416 ' ND1' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -72.8 -40.4 65.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.574 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 189' ' ' TYR . 12.3 tttt -71.73 -34.7 69.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.84 97.66 32.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -15.44 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -95.29 -4.48 45.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -56.26 -162.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -82.71 123.0 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 0.711 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 28.9 p -121.66 56.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -100.16 118.78 6.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 7.3 tp -104.97 -47.05 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 89.13 -131.9 10.96 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.42 168.21 31.08 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 204' ' ' GLY . 46.5 pt -100.48 -42.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 0.76 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 203' ' ' ILE . . . 58.07 43.08 95.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 160' ' ' MET . 19.4 t -114.56 144.12 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.23 118.23 3.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 207' ' ' LEU . 0.0 OUTLIER -138.76 146.37 50.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.72 4.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -84.78 -37.56 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.89 -44.94 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -142.25 158.58 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.62 108.61 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -87.27 29.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 8.23 21.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 5' ' ' LYS . 10.8 p80 -60.18 109.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 132' ' ' THR . 51.5 tp -100.29 161.59 13.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 6.2 p -86.12 155.7 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.27 170.99 8.26 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.25 2.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.18 -30.58 60.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -41.73 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.87 159.13 0.43 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 90' ' ' THR . 0.3 OUTLIER -74.69 156.06 86.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -14.29 21.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 57.94 179.66 0.93 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -130.33 174.59 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -100.55 94.0 5.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -141.72 99.44 6.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 137.24 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -87.66 155.87 53.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 145.27 31.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.83 128.27 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 155.15 13.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -72.17 -34.3 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -127.44 176.83 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.452 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 56.7 t-80 -72.36 166.44 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.638 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -74.04 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.8 t -90.75 -51.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.452 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 58.66 13.04 16.04 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.055 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -101.0 -176.07 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 0.737 . . . . 0.0 109.62 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -52.73 119.84 5.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -54.75 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -79.74 -52.92 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -49.69 126.08 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.55 135.32 20.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.07 139.07 23.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.96 131.73 50.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.58 -1.08 56.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 mtt -112.42 161.22 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -134.85 165.92 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CG2' ' HG3' ' A' ' 97' ' ' ARG . 4.2 mt -106.51 155.09 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.32 124.36 21.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.8 mt -109.42 124.83 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 138' ' ' ILE . 31.4 m-85 -143.36 153.64 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.12 110.43 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -128.5 35.38 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.42 -137.31 16.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 24.8 p -45.1 109.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CB ' ' CG2' ' A' ' 96' ' ' VAL . 5.3 p90 -82.23 -1.64 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 8.0 m0 -71.82 -54.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.0 -42.46 19.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.594 1.184 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.631 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 90.6 t -51.08 -55.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.0 pt-20 -60.95 -40.15 92.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.586 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -64.33 -32.63 74.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.29 -34.19 25.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.0 m-30 -66.07 -56.22 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -62.64 -19.86 64.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -2.78 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 113' ' ' VAL . 3.6 mt -98.42 144.57 28.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 138.69 -17.88 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 75.0 t -85.28 109.32 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -75.59 -50.41 15.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.61 159.36 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.465 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 60.5 p -143.06 151.42 40.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 96' ' ' VAL . . . -144.04 149.59 36.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.35 147.62 31.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.72 -175.34 43.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 180' ' ' TYR . 10.6 m-85 -125.39 154.75 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 1.3 t -170.12 166.17 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.89 -19.75 43.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.557 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.42 -170.12 46.2 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -110.71 -32.2 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 12.0 m -57.47 119.58 33.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.57 16.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.417 1.746 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.2 m120 44.23 63.89 7.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.98 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -114.18 169.97 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.54 -49.85 73.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.28 -36.8 73.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.64 -49.58 65.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.57 -45.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -51.71 -33.14 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 108.262 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -48.77 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.83 9.08 53.36 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.5 25.62 5.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.463 HG22 ' CD2' ' A' ' 15' ' ' LEU . 6.8 p -115.24 -33.54 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.65 2.97 90.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.557 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 71.6 m-70 -86.27 146.85 26.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.69 154.61 28.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 52.1 mt-10 -70.16 114.53 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.75 168.86 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 16.7 t -145.09 136.33 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.382 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' C ' ' CD1' ' A' ' 98' ' ' ILE . 5.2 ttm180 -95.62 115.08 26.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -109.82 141.07 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' TYR . 5.2 t -123.74 114.03 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.711 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.6 p90 -136.97 165.64 25.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -101.34 136.81 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.65 18.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.591 1.838 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -13.16 38.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -112.22 -62.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.464 HD12 ' CD2' ' A' ' 110' ' ' LEU . 10.6 tt -112.42 160.29 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 p -115.56 170.81 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 40.0 p90 -72.54 -45.98 56.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.629 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 5.9 pt-20 -55.46 -30.34 60.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.711 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 86.6 mt -73.68 -39.27 64.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -68.13 -37.78 81.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -66.38 -47.49 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -57.31 -35.57 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.567 ' CE1' ' CE1' ' A' ' 59' ' ' PHE . 18.3 m-30 -66.13 -57.77 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 9.8 m95 -63.84 -19.1 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -93.18 -9.34 39.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.475 ' O ' ' CG1' ' A' ' 200' ' ' ILE . 3.2 m120 -110.89 -23.47 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' CE1' ' OE1' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -156.95 170.24 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.627 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.87 141.4 22.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -75.06 0.51 8.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.84 49.89 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.458 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 18.3 tp60 -102.88 15.19 30.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 170' ' ' THR . . . 38.14 -157.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.96 66.15 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.57 158.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 49' ' ' MET . 2.1 tt0 -143.62 119.21 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.16 -123.54 21.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.59 13.46 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 32.9 m-20 -109.23 124.57 51.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -119.06 144.22 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.168 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 170.09 17.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 8' ' ' LEU . 18.8 m -85.76 0.2 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.413 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -93.16 -10.56 35.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 47.9 m-85 -107.75 38.5 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -89.28 166.98 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.9 m -106.58 129.12 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.41 157.65 32.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.572 HG22 ' CE2' ' A' ' 47' ' ' PHE . 69.4 mt -130.54 133.39 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.1 87.78 50.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.46 16.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.96 -32.42 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.0 p -98.89 160.6 27.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.32 10.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.03 -35.11 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.14 -40.85 90.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.401 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.5 OUTLIER -61.7 -51.88 66.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.3 -36.73 71.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.83 -41.2 62.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.68 40.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 1.8 ppt_? -64.79 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.24 -48.0 83.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 156' ' ' PHE . 7.2 p -58.01 -42.23 84.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.63 -48.68 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.96 -37.29 86.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -74.06 -35.55 64.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 152' ' ' SER . 87.7 t80 -71.88 -37.02 70.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.11 -39.45 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.78 51.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.95 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.402 ' CG ' ' CE2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.83 -37.95 83.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 207' ' ' LEU . . . -66.09 -15.84 63.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.94 -3.4 21.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 73.31 45.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -118.47 94.82 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 7.74 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 160.54 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -94.77 131.98 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 64.4 mt -76.95 111.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 123' ' ' GLY . 3.8 t -81.81 -28.78 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.8 m -40.78 124.09 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.1 122.3 35.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 12.9 mt -97.27 135.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -158.57 155.35 28.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 176' ' ' ALA . 34.7 t-20 -49.55 143.05 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 175' ' ' ASN . . . -58.89 139.13 56.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 165.23 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.477 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 23.9 p90 -76.57 149.66 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -101.97 129.1 48.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.477 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 4.0 m-85 -61.9 141.31 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.75 168.19 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.22 147.33 7.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.73 -32.95 67.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -22.54 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -93.8 -38.19 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.611 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.49 121.03 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 29' ' ' ALA . 9.2 mp0 51.87 45.7 27.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 38.8 t80 -64.88 -52.54 55.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -20.91 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.556 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.29 -45.43 39.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -65.75 -39.41 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.16 105.0 53.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -23.18 14.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -109.52 25.68 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.76 -169.75 41.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -53.98 116.76 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.0 168.29 17.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 124.44 100.49 1.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -107.15 -49.01 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 0.735 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 116.13 -105.23 1.36 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.564 1.165 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 112.3 142.18 8.53 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 204' ' ' GLY . 1.1 tp -133.63 -55.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' A' ' 203' ' ' ILE . . . 66.12 75.93 0.39 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 6.8 t -96.92 110.59 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 0.807 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.6 m -120.02 78.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 162' ' ' ALA . 4.3 mm? -127.3 117.41 21.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.65 42.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 137.93 22.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.07 116.99 9.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -108.29 7.57 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -66.89 116.07 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -140.0 150.2 44.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -87.19 30.72 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -3.48 32.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.6 133.43 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.616 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.73 169.64 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 11.2 p -113.16 160.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -93.5 162.32 28.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.968 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.09 -34.8 3.47 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.555 1.818 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.34 -16.21 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.11 -35.57 9.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.66 144.21 6.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.33 146.88 96.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.05 54.47 3.68 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.579 1.831 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . 35.36 -149.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -163.85 163.69 23.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -92.62 81.3 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -150.1 99.33 3.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 110.434 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.67 35.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.776 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.37 139.46 20.33 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.76 35.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.43 145.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.91 152.99 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.375 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 -45.08 57.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.84 157.75 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.2 t-80 -60.35 170.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.621 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' HIS . . . -72.32 -65.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.68 -52.65 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 72.0 m-80 -56.94 -25.89 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.18 24.87 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -100.52 170.48 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.586 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -39.6 121.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 tpt -78.31 -50.69 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -94.83 -52.7 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -52.99 121.3 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 53.1 t -101.28 136.28 19.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.02 143.45 29.02 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.06 125.91 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.93 6.7 45.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.7 mtt -122.15 165.31 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -143.14 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -107.83 146.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -129.07 124.22 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 3.2 mt -108.68 127.2 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 46' ' ' ILE . 35.3 m-85 -146.26 153.66 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.98 109.79 12.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.3 50.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.32 -136.17 32.05 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 2.6 t -40.88 109.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 31.1 p90 -81.31 -20.44 40.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.594 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 13.6 m0 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.02 -48.51 8.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 59' ' ' PHE . 81.3 t -51.91 -57.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' CE3' ' A' ' 60' ' ' TRP . 7.6 pt-20 -54.42 -37.65 65.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.656 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 7.6 ttt180 -61.55 -57.37 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -34.58 78.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.746 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 3.5 m-85 -66.5 -45.96 77.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.656 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -76.29 -29.34 57.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 108.049 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.09 0.1 22.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -81.45 139.55 48.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.91 107.81 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.69 -13.79 3.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 98' ' ' ILE . 46.3 t -90.08 120.8 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -80.16 -45.63 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.4 ' HA ' ' ND2' ' A' ' 31' ' ' ASN . 19.0 m -145.48 159.43 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.474 ' CG2' HG13 ' A' ' 98' ' ' ILE . 88.7 m -147.43 145.63 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.22 160.16 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -117.34 149.6 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 97' ' ' ARG . . . -172.2 -163.64 26.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -134.83 152.83 52.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.458 0.74 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.421 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.8 t -169.96 170.16 7.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.44 45.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.91 -176.64 47.94 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 11' ' ' PRO . 94.8 m-85 -106.84 -31.1 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 6.9 m -56.04 116.19 11.75 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.29 15.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' OD1' ' CE2' ' A' ' 180' ' ' TYR . 5.9 m120 52.24 63.01 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.99 169.87 21.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 p -124.98 158.69 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -55.16 -44.11 74.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -62.23 -50.03 73.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 27.8 mt-10 -59.84 -48.81 80.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 53.7 t -59.37 -42.53 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.66 -43.93 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.76 71.64 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 106.25 21.97 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.44 20.81 13.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 0.784 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 48.4 p -117.25 -35.08 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.97 8.73 87.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 44.9 m-70 -86.08 148.39 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 153.74 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.5 tp10 -70.52 114.84 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.02 163.8 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -146.58 129.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 179' ' ' PHE . 5.9 ptp180 -90.37 115.61 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.474 HG13 ' CG2' ' A' ' 68' ' ' THR . 2.6 mp -104.16 130.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' TYR . 15.6 t -105.74 114.03 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 3.9 p90 -139.57 165.67 26.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -103.76 137.39 19.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 -11.09 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.34 -52.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.586 HG22 ' CD1' ' A' ' 100' ' ' TYR . 1.2 tp -115.14 147.62 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.457 ' N ' HG13 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -111.3 147.39 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.604 ' CE1' ' OH ' ' A' ' 100' ' ' TYR . 9.8 m-85 -48.38 -48.64 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.47 -44.41 45.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -61.85 -49.53 75.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.656 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.7 mt -59.84 -35.67 75.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.69 -49.07 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.96 -46.14 82.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' ' 114' ' ' PHE . 0.4 OUTLIER -55.62 -47.08 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.746 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 17.0 m-30 -66.9 -55.07 16.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 46.6 m95 -48.65 -24.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.06 -30.23 14.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' PHE . 10.0 m-80 -107.64 34.35 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -170.44 158.17 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.1 OUTLIER -112.51 133.52 21.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.97 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.32 49.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -92.19 -18.03 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.6 -166.14 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.404 1.065 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.38 62.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 179.45 163.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.06 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 1.6 tt0 -149.64 124.62 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.54 -124.19 21.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -91.58 11.61 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.56 118.1 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -113.16 152.94 29.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.704 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.74 166.03 11.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.6 m -82.12 -0.02 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.471 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -91.82 -17.45 25.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.62 37.53 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -70.72 175.47 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.238 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -130.95 113.6 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.55 168.84 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.69 128.17 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -116.09 84.41 13.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.15 23.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.14 -38.17 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 67.3 p -96.19 161.55 26.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.461 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 18.3 Cg_endo -75.08 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -78.26 -29.82 48.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.564 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 54.6 tt0 -65.49 -59.8 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -52.87 -44.2 66.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.86 76.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.52 62.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.8 76.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -64.97 -45.48 85.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.58 77.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 p -57.23 -45.26 84.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.57 -48.02 81.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -55.97 -38.22 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.62 32.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -58.55 -30.6 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -52.06 -32.61 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.34 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.66 -34.07 61.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.82 74.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -56.84 -42.86 80.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.54 -19.54 49.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.38 17.35 14.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.3 t0 57.91 21.56 7.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.19 102.11 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.81 8.16 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -56.85 153.68 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -88.7 123.17 32.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.516 ' CG2' ' CG2' ' A' ' 171' ' ' THR . 54.8 mt -60.88 125.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.8 p -95.97 -33.57 12.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.418 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.516 ' CG2' ' CG2' ' A' ' 169' ' ' ILE . 1.7 t -48.09 125.05 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.32 149.7 50.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.37 117.32 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -128.36 156.88 42.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.64 153.83 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -72.24 120.16 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.53 167.85 16.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 74.52 4.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 97' ' ' ARG . 7.5 p90 -61.71 150.32 37.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.478 ' CE2' ' OD1' ' A' ' 79' ' ' ASN . 32.4 m-85 -115.35 135.8 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.564 ' CD2' ' NH1' ' A' ' 97' ' ' ARG . 2.1 m-85 -59.69 131.99 52.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.85 169.81 14.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 155.7 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.18 -38.87 91.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.48 -37.02 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -82.28 -48.78 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -52.13 125.26 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 50.82 51.39 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 51.3 t80 -66.74 -50.77 61.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 53' ' ' TRP . 1.2 mm? -53.82 -20.93 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -44.43 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.653 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.89 64.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.55 99.22 8.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.17 16.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -96.98 -3.25 41.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.35 -167.64 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.75 131.51 40.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 -60.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 38.27 50.34 2.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -42.3 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 103.43 -176.17 24.11 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.34 159.98 28.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 tp -125.09 -47.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 65.46 85.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.0 141.13 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.23 140.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.296 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.1 OUTLIER -68.88 -53.07 15.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.5 Cg_endo -75.03 153.69 41.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.557 1.819 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -41.64 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.786 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.54 125.07 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.54 14.44 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 109.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 3' ' ' PHE . 1.1 p90 -60.35 151.95 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.65 148.64 50.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -87.47 27.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -24.93 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -61.26 109.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.566 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.76 165.01 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.77 160.65 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.445 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -109.81 175.73 1.82 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.95 -27.58 10.0 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.64 -23.07 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -99.54 -33.03 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.42 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 77' ' ' THR . 0.6 OUTLIER -87.34 152.04 51.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.46 -150.09 22.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.98 174.23 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 0.77 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.99 104.43 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 m -135.63 99.31 11.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 135.4 19.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.66 130.3 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.45 39.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.33 133.73 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.74 150.88 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 m -75.39 -36.66 60.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -126.83 174.15 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.472 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.5 t-80 -78.65 167.14 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -71.94 -65.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -89.83 -48.65 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.6 t30 -57.11 -34.13 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 60.99 9.88 16.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' HIS . 58.3 m170 -101.59 170.21 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -68.15 119.01 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ptm -80.9 -29.77 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.7 p -70.12 -43.27 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.95 119.84 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.2 t -110.53 132.07 21.74 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 148.57 35.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.77 136.31 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.35 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.534 ' HE1' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -99.03 167.82 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 167.85 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.0 mt -116.56 151.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 109.244 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.92 124.65 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' TYR . 55.3 mt -113.66 123.49 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.807 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.7 p90 -152.08 154.95 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.72 131.08 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -142.8 16.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.84 -146.32 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . 9.4 p -40.76 109.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 33.3 p90 -81.45 3.79 23.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 50.3 m0 -73.18 -61.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.11 -31.31 53.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 52' ' ' PHE . 76.0 t -67.1 -58.21 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.0 tt0 -55.96 -56.28 22.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.623 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.28 -23.98 17.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -82.84 -32.78 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 2.7 m-85 -72.18 -57.51 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.623 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -59.77 -19.05 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 107.976 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.29 -23.16 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' HG13 ' A' ' 113' ' ' VAL . 2.9 mt -74.98 141.32 74.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 105.82 2.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.5 3.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -87.89 111.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 2.2 t80 -69.7 -55.0 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -156.86 163.26 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -142.4 170.05 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' CG ' ' A' ' 97' ' ' ARG . . . -149.95 160.48 43.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.39 147.74 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -176.81 44.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -132.98 146.49 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' A' ' 177' ' ' THR . 11.4 t -169.61 179.56 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 -26.33 24.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.35 -173.05 49.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -102.03 -30.94 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.536 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 2.4 m -49.7 116.12 5.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-20 59.84 63.0 3.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.556 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 170.07 21.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -122.69 149.91 43.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -37.58 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -58.83 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -67.08 -43.25 83.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 4.8 t -52.22 -40.66 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.17 -37.34 64.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 108.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -62.48 -44.76 95.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.57 29.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -97.83 12.92 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.456 ' HB ' ' CB ' ' A' ' 77' ' ' THR . 7.8 p -113.22 -19.76 11.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.86 1.47 89.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.0 m-70 -81.52 143.88 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.54 160.66 20.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.3 tm-20 -70.01 119.08 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.35 159.0 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.9 m -146.76 129.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.452 ' NH2' ' OH ' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -92.44 114.95 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp -103.78 130.63 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 66' ' ' TYR . 19.7 t -108.88 115.27 49.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.525 ' CD1' HD13 ' A' ' 110' ' ' LEU . 45.6 p90 -138.87 164.75 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.062 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.12 137.4 20.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.74 21.39 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -24.4 22.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -99.9 -48.56 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 8.2 tt -131.97 140.84 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 p -95.31 145.13 25.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.5 p90 -53.46 -28.67 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.611 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -62.64 -46.01 90.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -57.57 -33.26 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.525 HD13 ' CD1' ' A' ' 100' ' ' TYR . 68.9 mt -71.51 -42.02 68.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 63.4 mt -66.95 -46.91 73.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.2 mm-40 -60.29 -45.35 93.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.494 HG13 ' CD1' ' A' ' 62' ' ' LEU . 1.3 t -58.29 -44.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 8.1 t80 -56.84 -43.03 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 22.1 m95 -80.22 -19.43 46.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -90.09 -10.3 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.9 m120 -118.54 -2.71 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.94 170.44 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.08 154.11 40.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.5 Cg_endo -74.95 0.02 9.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.6 49.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 125' ' ' ARG . 3.4 tt0 -74.77 -19.18 60.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.88 177.12 13.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 ptm -79.73 62.78 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 179.88 152.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -145.9 120.58 9.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.68 -119.0 6.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.587 1.179 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.63 17.4 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 7.3 m-20 -113.03 121.05 43.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -119.93 138.95 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.57 177.47 23.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.9 p -86.76 1.0 53.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.395 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.472 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -91.23 -2.53 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.238 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 90.2 m-85 -124.24 58.05 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.421 ' CZ ' ' OE2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -113.07 -166.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.3 m -121.5 133.21 55.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -164.18 153.16 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.567 HD13 ' CZ2' ' A' ' 115' ' ' TRP . 65.2 mt -131.76 139.8 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . 56.4 m-85 -135.26 88.57 25.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.12 162.76 36.31 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.441 1.759 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.2 -17.94 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.5 p -115.42 166.79 11.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.25 -36.21 82.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.467 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 41.8 tt0 -75.31 -28.69 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.87 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.84 -44.15 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -56.74 -46.62 81.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.24 49.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -60.16 -43.88 95.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.86 -48.31 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.456 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 18.0 p -65.39 -29.62 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.68 -52.02 42.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.23 -34.23 77.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -74.05 -29.8 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -51.91 -36.83 50.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.0 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.03 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.13 86.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.67 -43.61 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.6 -15.94 59.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.69 19.35 11.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.32 24.02 14.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.58 97.72 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.07 14.44 10.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.91 163.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -98.53 129.58 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.46 ' CG2' ' HB ' ' A' ' 171' ' ' THR . 16.1 mt -63.0 118.8 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.9 t -89.88 1.87 55.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 169' ' ' ILE . 3.1 m -70.71 122.42 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' CZ ' ' A' ' 135' ' ' ARG . 9.3 pt-20 -113.28 115.43 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 97.7 mt -94.8 128.77 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.22 153.31 27.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -46.59 158.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -75.98 127.05 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' A' ' 73' ' ' THR . 1.2 p -101.56 170.24 6.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 72.81 4.56 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 2.8 p90 -64.57 150.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.4 127.9 45.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -66.47 139.5 57.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -84.21 163.7 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.2 162.24 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.88 -30.26 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -28.16 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -95.34 -49.35 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -51.05 131.39 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.406 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 4.4 mp0 54.81 46.33 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.578 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 28.6 t80 -63.19 -54.09 42.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.4 -27.03 14.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -35.94 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -121.14 94.17 48.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.42 21.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -100.14 6.66 44.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -71.21 -160.53 3.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 197' ' ' TYR . 5.2 p90 -119.99 141.16 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 199' ' ' GLY . 7.0 p -111.07 -48.24 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 198' ' ' CYS . . . 36.49 62.65 0.76 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.9 tt -110.33 -35.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.525 0.779 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -60.6 120.56 23.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 162.64 94.83 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.14 -58.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 57.06 63.25 5.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 52.2 t -134.97 155.74 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.08 104.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 1.1 pp -85.99 156.98 57.62 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.24 31.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 63.31 5.94 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.16 119.55 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.79 13.34 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.37 159.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -114.66 82.47 1.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -87.33 29.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -86.97 9.87 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -60.49 133.71 56.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.82 159.35 16.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.072 . . . . 0.0 109.269 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 8.6 p -138.73 165.57 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -92.63 173.37 5.11 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -74.99 -44.97 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.45 -26.29 58.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.12 -33.16 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.06 141.68 10.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.05 138.64 65.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.71 4.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.55 175.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 148.66 25.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -74.58 88.14 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 t -149.65 99.23 3.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.2 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ttp -114.04 121.43 36.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.14 42.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.7 t -120.44 146.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 151.56 22.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 m -81.86 -31.68 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 mt -139.69 159.83 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 58.4 t-80 -58.55 168.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.551 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' CD2' ' A' ' 191' ' ' HIS . 15.7 t -90.79 -47.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.48 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.57 -31.92 68.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 52.15 21.98 9.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.35 169.29 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.625 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.1 p -52.79 119.43 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.3 mmm -80.87 -55.49 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -69.0 -54.59 14.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.65 127.29 30.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.1 t -104.0 136.92 19.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.98 145.72 31.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -67.8 140.97 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.61 -10.3 75.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.535 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -107.35 166.88 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 110.977 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.65 164.65 31.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.075 . . . . 0.0 110.288 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.5 mt -109.4 150.71 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -136.71 125.1 23.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.605 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.9 mt -102.58 129.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 23.6 m-85 -145.31 140.04 27.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.59 109.81 21.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -124.41 5.17 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 89.74 -132.32 11.2 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 3.2 t -40.34 109.86 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 55.2 p90 -83.89 -1.82 55.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 38.1 m0 -71.46 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.032 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -77.45 -38.97 27.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 70.1 t -58.36 -56.78 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 43.1 tt0 -57.84 -34.35 69.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.736 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -59.53 -57.02 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -31.73 71.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD2' ' CD1' ' A' ' 98' ' ' ILE . 8.6 m-30 -72.3 -54.17 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.736 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.72 -37.4 86.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -77.5 0.33 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -80.58 138.74 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.04 111.02 3.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.78 -5.85 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.54 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 1.5 t80 -71.18 -42.91 68.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -168.28 162.02 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 54.1 p -139.2 169.2 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.17 157.68 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -119.62 144.99 46.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.84 -165.03 31.66 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -129.25 153.07 48.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.407 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 0.6 OUTLIER -170.29 167.42 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.7 -29.08 13.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.462 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.18 -176.03 47.97 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -104.68 -38.51 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.458 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 31.4 m -51.02 118.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.75 37.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.432 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 10.9 m-80 49.77 63.79 9.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -75.04 150.65 38.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m -124.17 163.92 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.12 -50.35 71.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -61.29 -30.54 70.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 0.8 OUTLIER -69.14 -49.76 54.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.01 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -49.89 -40.24 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -70.14 -34.41 73.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.058 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 78.52 20.09 72.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.1 23.69 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 60.3 p -117.05 -35.2 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.28 -1.75 82.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.462 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 58.3 m-70 -77.85 150.3 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.51 168.51 9.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 115.36 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.21 155.18 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.41 151.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.538 ' HD3' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 2.5 mp -118.03 123.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.7 t -105.82 115.75 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.397 1.06 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 110' ' ' LEU . 15.5 p90 -134.56 163.42 29.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.188 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 105' ' ' ILE . 2.5 t0 -106.12 138.11 19.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -7.78 19.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 t -90.16 -25.58 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.18 -61.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 101' ' ' ASP . 15.9 tt -118.42 162.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -115.74 159.86 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 3.7 p90 -60.43 -39.06 86.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -60.89 -37.16 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.84 -46.13 88.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 100' ' ' TYR . 33.0 mt -56.53 -45.38 81.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.8 mt -57.01 -42.62 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.64 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 62' ' ' LEU . 6.9 t -54.04 -52.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 m-30 -68.28 -45.15 73.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -41.62 -29.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' PHE . 21.1 mt-10 -104.69 -43.15 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.475 ' O ' ' CE ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -91.74 36.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -170.16 162.28 8.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.9 t70 -132.01 125.79 20.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.164 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.783 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.29 50.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.75 -20.08 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.49 -150.15 39.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.391 1.057 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.4 ptm -84.99 45.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.436 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -153.4 150.3 28.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 134' ' ' TYR . 10.2 tp-100 -128.64 118.65 23.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.09 -114.69 7.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.397 1.061 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.51 19.85 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.21 160.31 19.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -118.55 152.22 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.39 141.69 3.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.3 p -72.74 -13.03 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -93.57 -5.11 49.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.467 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 4.0 m-30 -97.94 37.62 1.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -88.05 -174.23 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.2 m -120.07 125.65 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.83 149.74 20.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 47' ' ' PHE . 56.4 mt -118.28 138.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.38 86.88 44.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.4 Cg_endo -75.09 173.01 15.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.02 -22.45 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -112.95 163.78 17.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.51 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.8 -32.07 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 59.5 tt0 -74.99 -34.13 61.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -47.35 63.34 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -55.86 -42.53 75.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.07 65.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.21 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.74 -35.58 81.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -62.97 -43.54 98.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.7 p -61.47 -34.51 75.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 171' ' ' THR . 7.0 tt -57.61 -51.0 71.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.57 -33.99 77.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -25.75 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -73.98 -43.12 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 111.05 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.13 -35.57 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.21 -45.62 17.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.15 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.48 91.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.43 -37.96 85.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.49 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.6 22.84 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.87 31.83 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.12 100.34 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.58 13.87 12.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -53.68 144.24 18.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -76.8 130.8 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.88 125.39 22.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.41 HG21 ' N ' ' A' ' 171' ' ' THR . 10.8 t -103.67 -23.78 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.41 ' CG2' ' HG ' ' A' ' 153' ' ' LEU . 8.9 t -50.05 132.63 23.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 139.95 51.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.22 138.65 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.38 145.17 22.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.12 150.4 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.97 128.95 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -104.8 171.3 5.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.11 5.37 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.412 1.743 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.538 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 37.2 p90 -60.9 149.97 34.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -108.24 129.07 55.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -61.55 141.31 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.91 170.21 10.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.2 tt0 -52.04 150.63 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -44.21 76.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -27.38 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 17.3 m-70 -92.99 -45.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.514 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 2.7 mt-30 -50.01 125.53 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.43 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 7.0 mp0 58.27 48.56 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 81.1 t80 -62.04 -54.74 37.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -48.97 -24.84 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.43 -37.89 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 189' ' ' TYR . 1.8 tppp? -77.78 -32.12 52.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.0 102.61 34.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.36 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -106.09 24.59 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -85.19 -170.06 46.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -67.7 118.39 10.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -139.97 43.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.246 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -121.84 129.04 7.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.36 148.09 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -141.76 148.7 20.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 96.19 46.61 2.57 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.78 161.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 0.722 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.79 70.74 0.12 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 13.9 t -139.17 142.68 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.28 115.14 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 17.4 mt -65.77 -45.38 65.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.1 Cg_endo -75.09 113.18 3.73 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.494 1.786 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -75.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.062 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.29 150.58 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.54 14.51 20.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 6.1 p90 -60.61 122.95 16.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.02 89.4 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.6 9.76 15.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.35 94.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 100.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 ' CG2' ' A' ' 132' ' ' THR . 0.6 OUTLIER -96.78 157.22 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 ' N ' HD11 ' A' ' 8' ' ' LEU . 9.8 p -49.83 149.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.01 170.84 9.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -41.97 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.98 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.71 -38.16 18.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.71 158.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD11 ' CD ' ' A' ' 16' ' ' PRO . 4.6 mm? -51.47 154.51 3.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' CD ' HD11 ' A' ' 15' ' ' LEU . 18.4 Cg_endo -74.93 -21.83 15.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.64 163.67 24.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -116.6 141.37 48.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -79.76 74.71 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -149.84 99.45 3.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.23 28.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.21 114.73 57.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.93 40.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' CZ ' ' A' ' 181' ' ' TYR . 74.9 t -104.83 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 161.38 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -75.48 -43.79 47.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -134.84 152.59 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 61.5 t-80 -59.7 169.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.45 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.41 -53.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.522 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 14.6 m120 -56.96 -25.87 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 49.18 20.68 2.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 24.2 m170 -100.74 158.03 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m -53.95 124.44 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.538 ' CE ' ' CB ' ' A' ' 69' ' ' ALA . 5.1 mmm -76.68 -46.33 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -80.09 -53.67 6.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.1 133.22 55.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.7 t -129.65 131.12 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 148.57 35.35 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.428 1.752 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 129.78 42.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.87 -11.54 52.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.403 ' SD ' ' C ' ' A' ' 100' ' ' TYR . 24.7 tpp -95.88 156.2 16.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.07 164.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.93 149.31 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.366 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -132.7 125.0 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' CD1' ' CE1' ' A' ' 179' ' ' PHE . 4.3 mt -99.35 125.03 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -140.03 144.67 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -118.19 118.59 32.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.6 mtp -137.36 28.56 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.52 -135.51 14.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -42.03 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p90 -80.85 -1.34 42.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.63 ' CZ2' ' CE2' ' A' ' 189' ' ' TYR . 51.4 m0 -70.6 -60.32 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.029 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.54 -42.86 20.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.567 1.167 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG13 ' CE2' ' A' ' 59' ' ' PHE . 75.9 t -54.32 -53.35 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 9.3 tt0 -62.36 -33.95 75.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.602 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -61.27 -56.56 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.38 -32.55 68.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 98' ' ' ILE . 2.1 m-85 -67.54 -55.57 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.602 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.24 -17.32 63.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -83.9 -7.03 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.8 mt -85.55 137.74 36.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 109.79 2.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.429 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 133.45 -8.98 5.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 72.4 t -91.71 115.54 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.473 ' C ' ' CG2' ' A' ' 68' ' ' THR . 4.6 m -173.87 157.72 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 2.0 p -152.11 155.09 37.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.538 ' CB ' ' CE ' ' A' ' 35' ' ' MET . . . -146.23 145.63 30.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' N ' ' OE1' ' A' ' 187' ' ' GLN . . . -78.8 146.55 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 181' ' ' TYR . . . -157.73 179.89 33.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.4 ' CZ ' ' CB ' ' A' ' 180' ' ' TYR . 19.8 p90 -122.71 153.56 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -170.19 164.55 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.83 -16.79 57.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -94.62 -177.71 38.34 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -114.83 -29.53 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 89.5 m -49.84 124.07 15.87 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.96 126.64 10.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.9 m120 39.83 62.87 5.28 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.09 169.96 21.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 m -104.41 150.46 24.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.69 -45.77 70.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -35.88 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 10.4 mt-10 -69.4 -50.33 46.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.232 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -46.0 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 t -50.04 -37.88 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -69.84 -47.18 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.87 24.79 12.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.5 12.33 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 40.2 p -111.93 -34.92 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.14 -0.51 69.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 81.3 m-70 -78.67 150.27 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 0.787 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.38 168.16 12.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -72.59 134.7 45.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.53 150.27 23.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 16.1 m -138.07 131.72 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -88.52 122.51 32.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.569 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.4 mp -109.02 127.04 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 66' ' ' TYR . 3.6 t -104.82 113.95 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.55 ' CD2' HD13 ' A' ' 110' ' ' LEU . 22.5 p90 -134.13 165.52 24.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.45 138.84 20.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.61 21.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -90.13 -10.42 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 47.3 t -114.0 -64.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.7 tt -113.96 163.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -112.72 163.59 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 145' ' ' GLN . 20.8 t80 -66.96 -45.27 78.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -39.88 50.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -59.02 -38.81 80.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.55 HD13 ' CD2' ' A' ' 100' ' ' TYR . 77.5 mt -72.67 -52.69 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -58.47 -33.66 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.596 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.8 tt0 -63.81 -56.1 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.556 ' O ' ' CB ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -61.07 -32.14 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' LEU . 8.7 t80 -48.2 -53.66 16.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 15.0 p-90 -95.52 -30.67 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 33.7 tt0 -72.5 -4.47 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 113' ' ' VAL . 0.7 OUTLIER -132.63 10.75 4.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.506 ' CG ' HD13 ' A' ' 200' ' ' ILE . 4.9 t-160 -170.03 153.12 4.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 122' ' ' GLN . 1.9 p-10 -96.65 117.17 66.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.0 49.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.428 ' CB ' ' OD1' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -100.43 -12.55 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.07 -166.92 54.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.4 mtt -71.32 62.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -176.9 155.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.428 ' NE2' ' N ' ' A' ' 200' ' ' ILE . 8.9 tm0? -136.62 130.1 31.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.64 -117.06 6.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.53 11.5 34.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.502 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 14.2 m-20 -108.82 140.4 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -118.56 153.37 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.663 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.63 161.67 9.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.476 ' CG2' HD23 ' A' ' 8' ' ' LEU . 74.2 p -82.07 -1.9 50.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.373 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -92.74 -23.55 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.502 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 29.6 m-85 -89.58 35.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 147.68 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -84.66 133.96 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.76 147.27 24.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 111' ' ' LEU . 13.6 mt -113.8 125.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -119.98 87.23 38.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.61 11.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.59 1.837 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -120.48 -48.53 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 2.0 p -90.6 167.99 15.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -29.34 8.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.4 -30.33 68.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 87.9 mt-30 -71.85 -48.14 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 142' ' ' THR . 1.7 m-20 -53.16 -48.59 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.0 74.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.5 -38.88 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.06 71.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -64.4 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.447 ' HB3' ' NE1' ' A' ' 115' ' ' TRP . 31.5 m -56.67 -46.88 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.63 -50.94 70.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.27 -39.92 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -47.91 27.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.558 ' CE2' ' HG3' ' A' ' 160' ' ' MET . 32.2 t80 -61.91 -33.14 73.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -52.59 -37.74 58.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.74 -43.53 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.81 77.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.558 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 8.7 mtp -56.33 -49.32 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.16 -36.63 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.28 -21.74 66.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -99.18 26.62 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.5 32.45 19.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -117.2 97.04 5.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.96 11.29 18.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.71 160.93 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.99 138.89 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 4.3 mt -66.29 113.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -24.0 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.63 123.7 12.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -117.13 118.3 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 5.2 mt -92.83 120.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.47 39.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -47.96 155.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -83.18 130.1 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.521 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.3 OUTLIER -99.94 -176.5 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.97 56.48 4.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.037 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CE1' ' CD1' ' A' ' 46' ' ' ILE . 23.2 p90 -61.03 150.48 33.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.4 ' CB ' ' CZ ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -124.04 137.55 54.57 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -76.73 152.34 35.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.462 ' O ' ' CE2' ' A' ' 181' ' ' TYR . . . -79.16 170.1 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 152.45 19.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . 0.478 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 0.8 OUTLIER -53.36 -29.92 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -45.86 68.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.31 -32.44 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.633 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 83.8 mm-40 -49.76 135.7 18.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 187' ' ' GLN . 7.4 mp0 42.24 51.52 4.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.224 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.63 ' CE2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 t80 -64.72 -49.01 72.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -23.11 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -77.16 -49.86 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.51 57.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.12 96.45 12.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.17 21.4 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -109.6 13.27 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -61.62 -150.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 197' ' ' TYR . 3.0 p90 -137.23 133.8 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.5 p -116.58 140.63 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -93.65 -34.2 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.506 HD13 ' CG ' ' A' ' 118' ' ' HIS . 8.8 tt -52.53 150.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 150.17 70.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.488 1.117 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.83 75.47 0.26 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 pp -121.02 157.08 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 127.16 73.09 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.392 1.058 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 16.1 t -133.32 117.42 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.45 124.05 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.57 154.28 52.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.86 9.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.37 17.7 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 105.47 14.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt -108.62 -45.05 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -139.49 159.88 41.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -118.3 55.73 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 8.87 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -46.88 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.482 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -79.5 56.26 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.55 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -151.19 129.5 12.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.6 p -37.57 143.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.63 168.84 21.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.438 1.757 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 -22.79 58.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -82.57 -40.07 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 160.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.1 112.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.01 3.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.14 -164.35 12.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -166.87 144.34 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.99 169.05 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -70.2 155.83 92.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.86 35.84 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.462 1.769 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.62 152.92 37.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.4 1.063 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.91 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.13 145.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 150.38 40.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.4 m -75.78 -39.03 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -128.03 -175.22 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' HIS . 58.9 t-80 -86.77 168.59 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' N ' ' ND1' ' A' ' 28' ' ' HIS . . . -71.5 -65.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.6 t -90.72 -47.47 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.436 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.4 t30 -58.28 -33.54 69.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 58.23 14.42 18.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' HIS . 57.1 m170 -100.84 168.4 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.21 119.44 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ptp -80.4 -15.45 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -84.96 -50.4 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.73 134.46 48.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 t -114.78 128.23 26.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.64 31.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.759 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.06 125.62 24.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.33 -13.73 56.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.451 ' CG ' HG13 ' A' ' 99' ' ' VAL . 25.5 tpp -86.34 152.78 22.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.737 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.28 162.54 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.415 HG23 ' NE ' ' A' ' 97' ' ' ARG . 5.8 mt -112.43 154.58 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB3' ' CE2' ' A' ' 47' ' ' PHE . . . -145.08 125.12 13.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' A' ' 139' ' ' TYR . 55.5 mt -110.86 130.47 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CD2' ' CZ ' ' A' ' 114' ' ' PHE . 52.0 m-85 -147.54 147.81 30.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -111.9 124.89 53.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -141.86 17.73 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 91.21 -140.48 15.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' GLY . 29.8 p -40.81 111.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 39.3 p90 -76.96 -5.75 49.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.802 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 21.5 m0 -71.86 -57.42 4.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -76.3 -34.75 44.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 59' ' ' PHE . 54.8 t -66.14 -49.88 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HE2' ' N ' ' A' ' 69' ' ' ALA . 31.3 tt0 -71.94 -20.71 61.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 3.2 ttt-85 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.2 pp -73.82 -39.04 64.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 55' ' ' VAL . 10.4 m-30 -54.79 -52.23 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.585 ' CH2' ' HA ' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -58.75 -53.47 58.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.506 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 36.8 mt-30 -69.67 -2.68 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 105' ' ' ILE . 2.1 tt -67.14 134.28 93.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 107.32 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 121.8 -3.07 10.92 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.6 t -97.51 116.33 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -73.69 -49.77 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 m -151.27 166.77 29.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -139.98 167.24 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.473 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' N ' ' HE2' ' A' ' 56' ' ' GLU . . . -155.43 154.39 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -116.31 142.63 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -166.99 -168.91 29.88 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 23.2 m-85 -141.16 149.49 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.439 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 4.6 t -169.86 176.33 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.14 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.573 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.52 -167.08 17.32 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -113.4 -46.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 27.4 m -49.84 121.29 12.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 142.48 27.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 16.3 m120 46.36 64.36 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.06 169.94 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.0 m -124.71 157.69 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.63 -49.84 61.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -57.21 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.84 -46.02 67.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 83.9 t -66.0 -37.22 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -39.53 63.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 108.372 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 m -67.82 -38.5 83.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 22.8 42.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 9.5 42.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -100.9 -27.73 13.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 94.53 -11.66 69.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.573 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 62.4 m-70 -79.16 147.96 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.37 171.52 7.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -76.34 114.75 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.252 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.61 49.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG11 ' CB ' ' A' ' 52' ' ' PHE . 3.7 m -142.43 145.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' NE ' HG23 ' A' ' 44' ' ' ILE . 4.6 mtt180 -94.55 125.66 39.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.57 133.82 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.451 HG13 ' CG ' ' A' ' 42' ' ' MET . 46.2 t -109.97 114.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 3.0 p90 -138.9 164.52 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.381 1.051 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.57 138.94 20.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 -18.88 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 52.9 t -103.04 -57.69 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 14.5 tt -120.04 161.66 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -111.1 158.86 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 13.6 p90 -65.2 -33.74 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.608 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 13.7 pt-20 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 77.1 mt-30 -57.45 -43.14 83.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.45 -49.89 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 12.7 mt -54.77 -48.73 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -35.02 79.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 114' ' ' PHE . 1.2 t -58.68 -37.5 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 9.4 m-85 -69.73 -46.07 66.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 5.5 m95 -69.78 -19.93 63.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.95 -9.31 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -114.14 -11.99 12.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.6 OUTLIER -168.14 170.22 10.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.507 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 121' ' ' ALA . 0.8 OUTLIER -113.15 132.97 22.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 30.55 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -139.29 50.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.515 ' H ' ' NE2' ' A' ' 122' ' ' GLN . 1.6 pm0 -98.56 -15.82 19.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.57 -164.49 50.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -71.93 58.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.724 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 179.33 168.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.91 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.32 -123.09 22.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -100.58 8.71 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.76 132.59 51.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -116.79 135.21 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.01 167.23 27.39 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.459 ' CG2' ' HE2' ' A' ' 124' ' ' MET . 57.9 m -81.17 -6.92 59.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 0.808 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.462 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm0? -92.89 -27.92 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -89.25 68.98 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -125.07 -174.23 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.6 t -118.91 122.63 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.23 162.31 40.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 60.9 mt -129.39 128.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.422 ' CD2' HG22 ' A' ' 46' ' ' ILE . 32.6 m-85 -117.61 83.74 18.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.49 24.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.4 -31.45 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 56.5 p -108.43 162.1 21.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -21.45 15.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -32.87 60.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -71.16 -43.23 67.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -61.88 -40.58 95.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -62.97 -40.86 98.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.0 64.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.99 -54.24 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 146' ' ' ASP . 0.1 OUTLIER -66.36 -31.77 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -69.01 -34.77 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.265 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -80.07 -22.33 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.36 -50.57 59.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.97 -33.79 75.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.74 -48.81 80.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -74.3 -30.41 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.66 -41.04 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.612 1.195 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.75 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.66 -26.09 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.01 -41.26 97.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.23 -44.59 87.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.41 63.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.81 15.61 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.2 t70 62.48 19.19 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 101.08 10.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 3.84 27.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 155.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -98.26 141.35 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.0 OUTLIER -68.39 116.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 38.0 p -107.17 18.74 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 14.3 t -89.11 149.77 23.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 139.87 47.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 25.4 mt -117.73 117.84 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.38 145.93 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -44.86 154.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.45 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.94 164.89 15.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -108.09 150.26 27.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 1.7 p90 -107.28 136.65 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.45 ' O ' ' CD1' ' A' ' 180' ' ' TYR . 55.7 m-85 -61.6 144.47 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.37 167.94 13.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.62 161.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.03 -34.42 64.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -22.61 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -102.57 -35.68 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.572 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.73 117.5 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.589 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 0.8 OUTLIER 58.68 47.53 12.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.802 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 18.4 t80 -66.41 -56.02 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.402 1.063 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -64.3 -14.07 53.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.651 ' N ' ' HD1' ' A' ' 191' ' ' HIS . 0.1 OUTLIER -84.44 -37.09 21.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -76.37 -32.46 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 195' ' ' TYR . 0.2 OUTLIER -128.83 96.5 29.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.422 1.748 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 193' ' ' ASN . 3.1 p90 -93.09 -4.51 52.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.92 -148.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -138.95 140.18 38.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 199' ' ' GLY . 4.8 p -131.46 -49.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 198' ' ' CYS . . . 37.45 60.06 1.19 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 4.2 tt -109.57 -48.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -50.24 118.77 6.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 149.21 95.75 0.15 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 204' ' ' GLY . 2.7 pp -130.37 -55.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.486 ' N ' ' CD1' ' A' ' 203' ' ' ILE . . . 64.48 69.18 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 71.8 t -135.72 125.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.73 150.47 21.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.09 157.5 65.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 130.71 13.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.534 1.808 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.39 20.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.86 144.88 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.12 15.11 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.89 -43.78 94.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' CB ' ' HA ' ' A' ' 8' ' ' LEU . 10.5 p-10 -114.19 149.06 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.193 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -73.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -54.31 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.404 ' O ' ' CE ' ' A' ' 124' ' ' MET . 2.1 p80 -108.8 -55.95 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CB ' ' HE3' ' A' ' 124' ' ' MET . 0.7 OUTLIER -148.88 170.56 18.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 13' ' ' ASP . 8.6 p -38.55 145.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.86 170.21 10.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.23 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.25 -17.47 60.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.399 1.062 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -78.97 -44.05 23.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 161.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.33 112.51 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 54.52 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.43 -173.08 12.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -161.89 140.84 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.471 ' CB ' HG22 ' A' ' 81' ' ' THR . 2.7 m120 -101.46 168.69 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -72.03 159.56 85.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 143.05 28.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.73 151.49 38.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -111.17 151.16 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 152.6 43.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.8 m -74.28 -34.71 63.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.1 148.04 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.462 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 56.6 t-80 -50.79 170.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -71.83 -64.17 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG13 ' CZ2' ' A' ' 60' ' ' TRP . 2.6 t -91.6 -51.47 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.462 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 1.0 OUTLIER -57.67 -23.31 50.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 39.63 29.52 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ASN . 12.4 m170 -99.6 165.71 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.584 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 p -64.38 119.29 10.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -55.29 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -64.78 -53.36 48.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 t -125.41 136.71 28.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 146.77 33.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.609 1.847 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 122.92 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.68 -8.27 43.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 tpp -98.7 143.44 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -126.45 164.33 21.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.33 152.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -133.06 124.49 27.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 3.3 mt -101.39 127.5 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 35.9 m-85 -150.12 155.21 39.41 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -119.36 113.57 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 21.92 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 85.19 -141.64 19.26 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . 1.2 t -41.98 108.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -74.89 2.7 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 40.2 m0 -74.31 -53.06 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.975 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.76 -27.13 59.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.505 HG13 ' CE2' ' A' ' 59' ' ' PHE . 34.3 t -73.04 -56.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 20.7 pt-20 -50.79 -51.63 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.0 -24.04 64.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 4.8 tp -68.61 -41.01 80.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 98' ' ' ILE . 34.0 m-85 -85.86 -33.21 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.451 ' CZ2' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -58.54 -51.81 68.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 107.965 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -72.25 -4.04 27.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 tt -83.01 137.34 43.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.544 1.812 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.73 -15.77 7.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.5 t -93.74 123.79 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -81.69 -46.34 14.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 167.15 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -134.64 169.82 16.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.02 145.73 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . . . -108.44 149.91 28.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -172.35 -158.64 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.532 ' CD1' HG12 ' A' ' 85' ' ' VAL . 41.7 m-85 -148.27 147.83 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 8.5 t -170.42 164.07 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.42 -14.9 54.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -82.12 -157.47 20.63 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -116.93 -45.75 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.481 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 43.4 m -55.35 118.2 17.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -75.01 133.3 16.41 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 58.54 59.0 6.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.08 167.45 26.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.822 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.471 HG22 ' CB ' ' A' ' 19' ' ' ASN . 64.5 p -125.48 149.21 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.2 -29.69 14.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.79 -60.75 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 13.8 pt-20 -66.14 -44.88 82.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.532 HG12 ' CD1' ' A' ' 72' ' ' TYR . 48.4 t -53.21 -39.81 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.3 t -54.76 -41.65 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -44.33 83.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.88 21.42 23.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.03 26.47 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.96 -35.43 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.3 -2.74 68.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 87.6 m-70 -80.97 142.71 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.19 160.07 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.7 tp10 -70.03 116.17 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.401 ' N ' ' OE1' ' A' ' 94' ' ' GLU . . . -125.04 156.39 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.483 HG22 ' CB ' ' A' ' 52' ' ' PHE . 2.0 t -139.96 135.42 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -94.63 114.13 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.569 HD12 ' CE2' ' A' ' 59' ' ' PHE . 3.1 mt -104.57 123.58 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -101.73 114.33 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 5.3 p90 -135.13 165.17 26.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.92 135.76 19.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.11 17.65 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.09 -20.68 22.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.72 -65.6 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.4 tt -110.0 164.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -123.04 152.37 41.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -54.81 -41.06 70.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.643 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.5 tt0 -55.84 -41.42 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.74 -38.44 86.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 100' ' ' TYR . 19.6 mt -65.47 -50.62 64.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 74.4 mt -53.91 -38.39 64.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -66.0 -45.32 82.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.613 1.196 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.5 t -53.76 -48.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.675 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 19.5 m-85 -49.78 -55.41 14.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 7.0 m95 -66.11 -19.89 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -89.12 -9.07 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.51 ' OD1' ' CD1' ' A' ' 58' ' ' LEU . 1.6 m-80 -112.14 -31.37 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.4 145.05 9.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.655 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.79 155.26 85.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 0.44 8.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.42 50.15 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 134' ' ' TYR . 12.9 pt20 -78.39 -12.85 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.06 -179.56 27.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.43 ' HE3' ' CB ' ' A' ' 8' ' ' LEU . 1.8 ttm -71.96 63.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.05 170.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.545 ' HB3' ' CD1' ' A' ' 134' ' ' TYR . 10.6 tp60 -148.55 114.32 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.68 -119.28 17.63 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.95 11.86 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.535 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 0.2 OUTLIER -111.29 131.01 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -118.02 145.44 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.98 -178.16 27.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.0 p -90.24 -3.24 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -92.61 -1.43 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.545 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 57.7 m-85 -121.93 47.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 177.77 4.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.07 126.51 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.64 148.51 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.0 129.67 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.438 ' CE1' ' OG1' ' A' ' 177' ' ' THR . 42.4 m-85 -128.41 87.11 56.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 171.63 17.94 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.33 -32.58 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.3 p -104.34 162.58 19.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -28.41 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.99 -30.87 65.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.37 -41.3 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -46.81 88.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.08 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.05 73.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.82 -51.07 71.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -69.5 -38.5 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.85 -38.52 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.403 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.4 p -80.44 -34.93 35.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.7 tt -60.98 -51.96 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.66 -43.25 99.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -42.89 91.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 5.2 t80 -70.55 -29.83 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -54.38 -45.36 72.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.68 -34.01 35.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.04 -56.46 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.402 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 6.1 ptt? -62.51 -35.47 79.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 164' ' ' ASP . 0.1 OUTLIER -59.36 -46.52 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -55.75 -22.74 25.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -88.1 11.12 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER 80.78 -1.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.3 91.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 16.83 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.24 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.402 ' O ' ' CE ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -68.5 156.75 37.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -97.41 127.3 43.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.671 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.1 116.44 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.4 15.55 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.0 m -83.09 138.71 33.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 127.55 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.62 116.89 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.23 156.12 42.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -45.54 144.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.71 118.54 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.438 ' OG1' ' CE1' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -86.02 168.13 20.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 72.55 4.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.85 148.55 39.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.12 130.31 56.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -59.6 138.4 57.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.03 168.71 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -46.16 147.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -32.96 74.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -32.8 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -85.05 -36.37 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -50.88 110.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 188' ' ' GLN . 3.8 mm-40 56.72 57.85 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 27.9 t80 -71.2 -45.06 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 193' ' ' ASN . 5.8 mt -67.24 -10.09 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -69.69 -31.97 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.583 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -83.41 -36.85 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 193' ' ' ASN . 0.1 OUTLIER -129.14 104.97 18.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -13.61 21.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -101.42 12.89 36.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -70.01 -158.29 2.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.67 144.74 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.07 -48.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.335 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 43.7 52.29 6.56 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 5.0 tp -105.59 -46.19 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 0.807 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -41.36 121.65 2.26 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.24 57.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.49 170.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 130.02 78.22 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 206' ' ' CYS . 1.1 t -137.41 151.13 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' CYS . . . . . 0.401 ' N ' HG11 ' A' ' 205' ' ' VAL . 0.1 OUTLIER -47.82 102.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 108.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 0.1 OUTLIER -81.23 136.53 49.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -75.04 155.57 42.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.6 3.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -84.46 -39.96 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.4 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.69 29.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -112.28 127.78 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 152.53 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 27' ' ' LEU . 22.3 m -74.81 -39.92 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 26' ' ' THR . 18.3 mt -133.05 168.61 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.0 t-80 -64.6 169.06 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.58 -64.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 191' ' ' HIS . 9.9 t -91.13 -49.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.36 -27.62 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.21 25.76 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' ASN . 2.8 m170 -100.46 -171.82 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.43 121.16 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -48.59 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.1 p -98.16 -49.64 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -51.44 127.04 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -116.47 133.54 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.44 36.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.39 119.38 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.0 31.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.478 ' HG3' HG12 ' A' ' 99' ' ' VAL . 23.0 tpp -88.91 144.58 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.744 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.4 mt-10 -128.46 164.32 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 99' ' ' VAL . 7.1 mt -110.77 155.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -142.34 129.74 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.8 mp -111.03 124.99 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 25.3 m-85 -145.69 143.5 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.74 113.65 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 55' ' ' VAL . 3.5 mmm -126.16 18.85 7.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.24 -136.83 13.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -41.5 110.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 39.0 p90 -82.41 -2.65 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 47.5 m0 -70.7 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.78 -44.19 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 49' ' ' MET . 79.8 t -51.88 -57.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 6.3 tt0 -56.07 -40.89 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -53.86 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -55.42 -48.13 74.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 5.0 m-85 -60.63 -32.19 71.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CD1' ' NE2' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -75.13 -39.87 60.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -72.75 -3.8 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.067 HD11 HG11 ' A' ' 113' ' ' VAL . 19.5 mt -82.28 142.26 47.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.71 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 119.45 -15.47 10.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 59' ' ' PHE . 59.5 t -88.11 114.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.28 -52.97 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -148.66 158.97 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.5 p -136.77 160.01 40.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.87 157.48 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.946 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.42 141.55 49.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -175.78 -159.31 21.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.98 151.92 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.85 171.2 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.71 -16.18 59.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.16 -171.9 47.77 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -113.99 -31.94 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -58.43 120.17 42.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.85 15.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 9.9 m120 52.4 63.97 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.541 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 169.04 23.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.429 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 78.2 m -122.19 152.54 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -50.52 -46.93 57.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.0 -39.01 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.0 mt-10 -68.1 -49.4 61.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 133' ' ' GLN . 81.6 t -60.85 -36.39 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -37.73 72.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -48.73 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.12 19.4 21.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.6 17.16 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 62.0 p -113.58 -29.03 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.23 3.78 86.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.5 m-70 -84.18 143.84 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.63 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.38 166.68 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -69.8 116.58 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.31 151.4 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.7 m -141.65 141.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' A' ' 179' ' ' PHE . 17.2 mtt-85 -94.75 116.54 28.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.712 HG23 HG13 ' A' ' 65' ' ' VAL . 3.2 mp -108.23 132.02 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 44' ' ' ILE . 17.1 t -110.74 114.0 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD2' ' CD1' ' A' ' 110' ' ' LEU . 4.7 p90 -134.29 165.92 24.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' SD ' ' A' ' 42' ' ' MET . 0.8 OUTLIER -99.35 137.66 20.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.5 21.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -17.56 30.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.4 t -101.98 -65.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 20.4 tt -109.75 157.1 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 p -117.26 144.52 44.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.4 p90 -49.85 -33.62 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -60.45 -42.84 96.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -64.73 -48.91 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 17.1 mt -55.28 -52.5 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 9.9 mt -54.77 -45.83 74.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 116' ' ' GLU . 9.1 tt0 -58.71 -46.37 87.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.067 HG11 HD11 ' A' ' 62' ' ' LEU . 39.5 t -55.49 -42.62 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.808 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 4.3 m-30 -61.64 -33.78 74.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 16.4 m95 -86.23 -19.91 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' GLN . 1.1 tt0 -93.69 -9.06 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' A' ' 58' ' ' LEU . 2.5 m-80 -113.88 -35.91 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -135.0 168.06 19.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.63 144.01 28.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.03 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.61 50.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -93.79 12.91 24.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.475 ' N ' HG21 ' A' ' 170' ' ' THR . . . 40.79 -149.72 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.464 ' HG2' HG23 ' A' ' 132' ' ' THR . 0.0 OUTLIER -87.02 44.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 111.013 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.422 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -154.62 151.04 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -139.69 115.97 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.17 -117.44 10.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.13 24.92 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 2.6 m-20 -115.05 146.13 41.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -119.9 142.8 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 149.52 5.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 124' ' ' MET . 20.6 m -76.75 0.24 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 85' ' ' VAL . 17.3 pt20 -95.21 -0.24 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 19.8 m-85 -110.06 40.1 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -164.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -139.72 123.57 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.78 161.83 41.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.52 HG22 ' HD3' ' A' ' 140' ' ' PRO . 9.1 mt -130.34 138.93 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 177' ' ' THR . 62.3 m-85 -134.15 87.25 34.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.97 176.61 9.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.1 mm? -112.93 -31.87 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -109.6 167.46 9.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -32.32 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.53 -41.71 62.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -62.97 -44.41 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.09 -38.03 87.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.68 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.04 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -64.07 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.449 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 20.6 p -59.0 -37.28 76.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.572 HD12 HG22 ' A' ' 171' ' ' THR . 6.1 tt -61.82 -50.47 72.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.54 -36.66 69.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.39 83.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 1.1 t80 -64.58 -35.58 81.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.483 ' O ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -52.64 -41.88 64.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.71 -35.47 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -63.88 -35.17 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.24 -49.59 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 157' ' ' GLN . 2.2 mm? -52.53 -38.1 59.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -63.79 -30.22 71.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.69 24.2 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.4 t0 47.7 31.98 2.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.21 99.54 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.39 10.17 18.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.9 159.16 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -98.5 122.86 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.56 124.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.7 t -100.62 -20.51 15.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.572 HG22 HD12 ' A' ' 153' ' ' LEU . 1.1 m -55.76 132.7 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.14 126.78 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.446 ' CG2' ' OD2' ' A' ' 146' ' ' ASP . 2.3 mp -103.89 132.48 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.41 162.76 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -52.11 140.23 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.04 128.85 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 139' ' ' TYR . 2.5 p -101.27 167.4 10.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.99 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -115.62 124.94 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 139.71 57.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.583 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -88.3 169.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.16 158.87 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -37.62 87.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.62 -36.8 69.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -83.18 -36.19 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.566 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.49 118.3 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 191' ' ' HIS . 10.0 mp0 52.92 53.05 12.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 10.7 t80 -68.85 -49.87 54.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -62.97 -14.01 42.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.527 ' CG ' ' HB3' ' A' ' 188' ' ' GLN . 22.6 m80 -82.36 -31.03 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -76.63 -40.97 47.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.4 116.28 41.75 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.11 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.05 18.49 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.3 -164.99 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.42 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 21.8 mmt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.444 0.164 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -74.98 146.56 32.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.01 147.93 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 154.22 38.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 -43.96 80.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -123.86 169.38 11.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.1 t-80 -64.17 168.53 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.507 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.32 -64.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 22.1 t -90.21 -48.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -58.01 -32.89 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.13 17.96 8.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.647 ' CE1' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -100.57 168.61 9.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.542 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.647 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 79.1 p -50.3 119.95 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.917 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.471 ' HE3' ' HG2' ' A' ' 187' ' ' GLN . 0.4 OUTLIER -80.07 -53.88 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -73.83 -54.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.47 136.73 44.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.247 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 44' ' ' ILE . 2.4 t -123.52 134.85 25.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.08 140.16 24.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.82 127.32 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.1 -21.73 24.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 ttm -88.63 164.56 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.07 165.12 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.229 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 HG21 ' A' ' 38' ' ' VAL . 5.4 mt -114.33 153.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -143.3 126.26 16.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.178 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 179' ' ' PHE . 5.1 mt -95.59 125.02 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -136.3 147.27 47.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.3 121.57 24.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.588 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 12.9 mtp -141.6 39.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 -123.4 9.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.9 p -44.68 109.99 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 38.7 p90 -85.03 -2.79 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.719 ' HB3' HD23 ' A' ' 190' ' ' LEU . 52.4 m0 -70.04 -60.29 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.31 -44.75 16.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -51.91 -42.57 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 30.2 tt0 -67.78 -49.12 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -55.8 -52.04 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -54.78 -34.93 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.6 m-85 -76.56 -41.57 45.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.29 72.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -73.35 -3.47 27.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -69.55 138.15 88.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.26 3.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 116.87 -6.58 17.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.94 118.25 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.2 t80 -71.55 -43.89 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.92 162.31 18.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 46.4 p -129.86 169.37 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.818 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -149.9 159.63 44.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -115.8 141.52 47.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.224 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.73 177.96 44.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 180' ' ' TYR . 1.1 p90 -122.54 148.08 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 0.725 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 t -170.33 171.86 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.63 -6.03 51.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 92' ' ' HIS . . . -111.19 -172.85 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -109.02 -31.95 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 0.807 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 80' ' ' PRO . 3.0 m -50.36 116.95 7.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.01 138.63 23.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.462 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 78.9 m-20 39.96 61.83 5.98 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.594 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.0 170.71 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -124.53 165.31 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -54.14 -33.64 58.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.38 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 4.9 mt-10 -54.85 -50.82 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' HA ' HG21 ' A' ' 90' ' ' THR . 39.1 t -59.77 -42.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -36.86 50.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 108.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -49.64 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.34 8.0 57.84 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.446 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.6 20.77 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -106.91 -35.25 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.407 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.401 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 91.66 -6.39 79.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 80.8 m-70 -85.62 144.02 28.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.657 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.608 ' HB2' ' NH2' ' A' ' 135' ' ' ARG . . . -120.33 167.86 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -74.41 115.7 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.76 19.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -144.47 135.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.818 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 0.4 OUTLIER -85.52 128.18 34.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -117.27 127.38 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG22 HG12 ' A' ' 44' ' ' ILE . 5.9 t -112.87 114.88 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HD2' HG23 ' A' ' 105' ' ' ILE . 17.0 p90 -137.6 165.16 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.594 1.184 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.66 138.66 19.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 -7.71 19.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t -89.29 -24.5 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 ' HA2' ' A' ' 64' ' ' GLY . 54.1 t -100.12 -59.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 100' ' ' TYR . 18.2 tt -118.89 163.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -122.53 162.91 20.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 24.7 p90 -62.18 -35.59 79.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.603 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 tp10 -61.18 -46.58 89.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.17 -41.27 92.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 105' ' ' ILE . 87.1 mt -61.56 -45.87 92.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.592 ' CD2' HD13 ' A' ' 138' ' ' ILE . 34.7 mt -58.39 -41.25 84.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -46.12 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -56.52 -39.08 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.588 ' CZ ' ' CG ' ' A' ' 49' ' ' MET . 3.1 t80 -57.55 -52.71 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CH2' HD11 ' A' ' 138' ' ' ILE . 3.5 m95 -67.67 -22.39 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.05 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -92.48 -2.08 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.513 ' ND2' HD13 ' A' ' 58' ' ' LEU . 10.7 t-20 -102.95 -35.5 8.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -169.55 169.82 8.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 109.564 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 121' ' ' ALA . 1.1 p-10 -97.4 124.03 50.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -74.97 24.44 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -126.06 50.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 19.34 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.55 -148.88 15.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.12 50.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.413 0.714 . . . . 0.0 110.967 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -155.06 155.88 34.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -147.17 125.71 12.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.442 ' N ' ' OE1' ' A' ' 126' ' ' GLN . . . 65.6 -121.89 21.18 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -111.17 21.55 16.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 0.738 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 16.1 m-20 -113.8 144.3 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -118.45 137.32 53.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.76 148.4 5.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.7 m -71.11 -5.48 31.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.84 -4.73 54.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 21.2 m-85 -102.91 38.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.065 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.608 ' NH2' ' HB2' ' A' ' 93' ' ' ALA . 9.2 mtm105 -88.54 177.49 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 p -126.44 137.0 53.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.84 147.73 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.712 HD11 ' CH2' ' A' ' 115' ' ' TRP . 53.2 mt -110.15 136.71 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -131.08 84.69 56.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.1 Cg_endo -75.08 172.88 15.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.18 -22.48 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.4 HG23 ' OE1' ' A' ' 145' ' ' GLN . 9.7 p -115.48 163.58 20.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.44 6.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.57 -30.76 70.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 64.4 mt-30 -74.42 -39.29 62.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.499 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -63.6 -51.59 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.5 87.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.93 -53.27 60.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.521 ' HG2' HD13 ' A' ' 173' ' ' ILE . 5.2 mmm180 -60.27 -45.3 93.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.7 89.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.8 p -63.69 -39.5 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 169' ' ' ILE . 10.2 tt -63.99 -51.93 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.08 -35.08 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -32.45 63.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.591 ' HD2' HD11 ' A' ' 169' ' ' ILE . 41.1 t80 -74.86 -32.71 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -39.46 59.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.07 -34.21 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.17 25.31 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.465 ' HE1' ' HA ' ' A' ' 168' ' ' HIS . 2.9 ptt? -59.58 -33.76 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.66 -38.37 72.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.83 65.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.67 -5.05 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.2 t70 79.69 25.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.71 109.1 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -2.08 56.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.13 98.71 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.465 ' HA ' ' HE1' ' A' ' 160' ' ' MET . 5.1 t60 -62.62 146.46 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.623 HD13 ' HG ' ' A' ' 153' ' ' LEU . 95.0 mt -55.33 136.25 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -109.34 -39.49 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.441 HG22 ' CG2' ' A' ' 169' ' ' ILE . 5.4 t -40.49 149.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.64 152.44 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 150' ' ' ARG . 6.5 mt -114.77 133.41 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.98 162.63 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.217 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.09 141.93 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -46.33 128.8 10.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.1 p -106.78 163.33 17.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.64 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.8 p90 -98.15 147.51 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.468 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -109.29 142.99 39.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.89 145.1 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.6 166.89 13.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.57 158.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -39.64 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 67.0 m-70 -77.92 -36.21 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -53.54 114.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 5.0 mm-40 53.05 54.54 10.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.71 ' CE1' ' ND2' ' A' ' 193' ' ' ASN . 31.4 t80 -63.92 -46.56 84.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.734 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -62.15 -14.58 38.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.84 -45.35 36.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.71 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 1.1 p-10 -137.19 102.68 8.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.01 11.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -98.38 7.74 45.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' GLY . . . . . 0.506 ' HA3' HD21 ' A' ' 193' ' ' ASN . . . -68.23 -155.94 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.734 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.461 0.172 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.91 19.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -101.52 129.88 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.23 166.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 HG22 ' HG ' ' A' ' 27' ' ' LEU . 3.7 m -78.7 -42.29 28.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 26' ' ' THR . 5.9 mt -128.77 -176.85 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.3 t-80 -71.86 168.26 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -71.5 -65.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG22 ' CE1' ' A' ' 191' ' ' HIS . 16.8 t -90.54 -46.86 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -59.04 -31.79 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.07 17.95 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -100.17 170.07 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.547 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -52.39 119.95 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 mtp -79.85 -54.64 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -74.92 -55.04 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.14 128.41 35.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 44' ' ' ILE . 2.8 t -119.2 136.03 24.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 141.37 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.03 136.97 58.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.08 -5.07 52.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.0 mtt -116.41 162.25 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.34 166.9 22.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 99' ' ' VAL . 9.5 mt -107.14 150.8 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.59 124.6 25.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.64 126.38 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.482 ' CE1' HG23 ' A' ' 138' ' ' ILE . 25.4 m-85 -136.71 146.98 46.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.83 110.01 13.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 2.3 mtp -131.29 39.57 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.29 -129.98 18.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.649 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.5 p -43.53 109.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -83.41 0.3 46.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -73.18 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.8 -31.62 55.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 51' ' ' CYS . 74.6 t -67.26 -48.4 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.9 tt0 -56.0 -56.7 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 1.3 ppt_? -61.16 -24.19 66.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.596 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -63.52 -44.65 93.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' HD22 ' A' ' 110' ' ' LEU . 40.7 m-85 -79.46 -34.78 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.85 75.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -64.72 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -61.2 135.67 93.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 125.62 -13.97 7.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 HG23 ' A' ' 98' ' ' ILE . 80.2 t -88.45 111.27 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -70.15 -45.63 66.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.603 1.189 . . . . 0.0 110.99 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -169.69 154.8 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.07 161.94 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -145.39 140.66 27.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -86.4 143.72 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.93 -170.25 26.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 180' ' ' TYR . 2.1 p90 -137.23 146.15 44.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -170.19 164.46 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 2.16 34.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -103.59 -164.67 25.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.592 0.819 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -117.99 -34.15 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 35.5 m -57.05 123.76 61.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.77 20.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.6 m-20 45.9 63.64 9.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.0 164.83 32.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.819 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.7 t -124.83 159.18 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -50.05 -46.02 52.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 81' ' ' THR . 44.4 mt-10 -65.92 -46.29 78.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' OE1' ' A' ' 133' ' ' GLN . 71.2 t -58.08 -42.96 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.7 t -54.32 -40.91 68.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -50.01 75.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.92 6.34 56.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.43 21.1 7.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -110.97 -24.51 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.75 68.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 88.7 m-70 -82.86 139.4 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.87 161.16 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.62 114.49 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 160.23 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 23.8 t -138.08 133.12 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.636 ' NE ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -90.15 114.56 26.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.61 HG23 HG13 ' A' ' 65' ' ' VAL . 3.5 mp -99.83 131.58 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 44' ' ' ILE . 6.1 t -109.74 114.53 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.523 ' CD1' HG23 ' A' ' 105' ' ' ILE . 11.2 p90 -135.27 165.27 25.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.83 137.2 19.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -16.86 28.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.8 -62.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.523 HG23 ' CD1' ' A' ' 100' ' ' TYR . 18.8 tt -112.76 163.9 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -125.28 159.53 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -56.82 -33.7 66.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.7 tt0 -64.1 -40.79 96.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.53 -37.66 84.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' PHE . 82.1 mt -74.98 -34.57 62.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.848 HD21 ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -75.48 -33.77 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.215 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.81 -55.26 15.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.721 HG11 HD11 ' A' ' 62' ' ' LEU . 6.6 p -57.39 -34.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.606 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 22.3 t80 -51.8 -51.54 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.848 ' CH2' HD21 ' A' ' 111' ' ' LEU . 6.2 m0 -59.48 -31.72 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -93.03 7.64 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.596 ' ND2' HD13 ' A' ' 58' ' ' LEU . 24.6 m120 -112.4 -49.75 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 49' ' ' MET . 7.7 m80 -138.59 167.07 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.79 135.87 19.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.98 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.55 49.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -102.33 -11.25 18.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 71.75 -175.93 40.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.27 59.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' GLY . 4.4 ptp180 -179.8 152.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.438 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 32.5 tp60 -142.07 137.94 31.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.01 -128.55 26.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -93.92 16.2 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.352 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.36 128.13 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -120.02 131.23 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.636 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.61 157.08 9.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.065 . . . . 0.0 111.009 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 m -76.21 -0.53 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.603 0.825 . . . . 0.0 110.42 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' A' ' 85' ' ' VAL . 12.1 mm-40 -95.99 -5.86 40.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 110.235 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -108.35 44.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 136' ' ' SER . 73.2 ttt180 -92.76 166.0 12.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 135' ' ' ARG . 12.4 t -104.45 125.41 50.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.85 146.52 20.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 47' ' ' PHE . 79.5 mt -112.72 133.25 59.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 41.1 m-85 -125.06 84.38 59.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 141' ' ' LEU . 2.5 mm? -113.52 -28.0 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.6 p -103.02 161.26 23.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.74 6.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.67 -31.58 68.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.12 -39.14 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -46.89 87.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.61 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -67.16 -44.54 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.09 -54.25 49.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.22 -37.78 86.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.83 -40.76 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 p -78.68 -36.43 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.2 tt -60.64 -51.95 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.6 -33.73 74.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.57 61.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 0.4 OUTLIER -51.68 -37.39 50.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -53.5 -49.8 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.33 -38.98 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -51.53 -56.77 11.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 14.2 ptm -64.0 -34.72 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -48.39 76.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.58 -21.95 61.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -81.0 2.86 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.8 t70 81.47 8.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.97 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.23 11.15 19.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 159.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -98.68 122.29 41.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.11 114.76 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.424 HG21 ' HA2' ' A' ' 123' ' ' GLY . 81.7 p -95.08 10.42 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 120' ' ' PRO . 5.9 t -87.58 141.05 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.06 149.18 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 153' ' ' LEU . 3.5 mt -108.46 129.85 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.52 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -132.41 160.12 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -58.89 146.38 37.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.15 116.68 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.424 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.6 OUTLIER -101.72 178.35 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.07 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.581 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 4.4 p90 -65.27 150.69 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.659 ' CB ' ' CE1' ' A' ' 72' ' ' TYR . 39.8 m-85 -109.21 124.6 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.409 ' HA ' ' NH2' ' A' ' 97' ' ' ARG . 15.5 m-85 -64.57 131.58 47.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.29 170.04 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.546 ' OE2' ' CE1' ' A' ' 186' ' ' HIS . 6.0 pt-20 -65.0 161.14 19.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.206 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -31.94 73.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -25.61 59.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.546 ' CE1' ' OE2' ' A' ' 183' ' ' GLU . 34.8 m170 -99.91 -48.7 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -54.08 133.1 43.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 42.51 48.65 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.556 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.0 t80 -64.42 -50.26 68.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -28.48 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.5 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -75.71 -36.45 60.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -66.07 -31.27 72.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.13 103.08 14.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.4 21.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.425 1.75 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.63 7.28 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.88 -158.21 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.5 0.191 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 147.66 33.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.41 128.71 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 152.08 17.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' HD23 ' A' ' 27' ' ' LEU . 58.6 m -75.35 -40.62 58.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.46 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' THR . 73.6 mt -125.66 168.15 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 60.4 t-80 -72.23 164.66 25.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.584 1.177 . . . . 0.0 109.646 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -73.64 -65.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 191' ' ' HIS . 38.8 t -86.46 -51.1 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.576 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -56.21 -34.92 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 65.03 6.28 24.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' HIS . 2.4 m-70 -101.44 159.03 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 p -64.79 118.83 9.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -28.75 35.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 p -74.84 -45.8 40.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 133.17 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 44' ' ' ILE . 54.4 t -123.22 113.88 29.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.47 32.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 127.69 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 100.49 -20.47 48.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HB3' HG13 ' A' ' 38' ' ' VAL . 32.7 tpp -79.95 143.46 34.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.42 167.42 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.9 mt -117.39 155.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -143.23 125.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.52 HD12 ' HB1' ' A' ' 176' ' ' ALA . 30.4 mt -102.63 124.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -131.57 146.63 52.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 137' ' ' ALA . . . -124.66 110.0 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -132.76 16.59 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 87.92 -124.83 7.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -41.89 109.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 40.1 p90 -84.57 -2.18 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 46.8 m0 -70.02 -59.94 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.14 -44.55 17.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 51' ' ' CYS . 79.0 t -52.3 -57.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CG1' ' A' ' 96' ' ' VAL . 30.6 tt0 -61.83 -35.2 77.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.71 -55.26 18.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.659 HD21 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -59.03 -33.18 70.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -63.34 -55.86 21.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.29 -14.72 63.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.027 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.31 -0.12 48.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -96.47 143.21 25.72 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 109.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 131.33 -8.99 5.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.609 1.193 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 59' ' ' PHE . 83.4 t -90.17 121.85 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -80.05 -46.98 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -160.64 160.67 31.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 41.4 p -139.83 158.59 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.81 152.66 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.4 149.95 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.83 -173.8 37.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.478 ' CD2' HG21 ' A' ' 85' ' ' VAL . 68.4 m-85 -126.73 146.78 50.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -167.86 163.91 14.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.32 -5.86 38.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -117.53 165.11 12.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -86.03 -33.0 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.9 m -49.89 116.77 6.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.0 23.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.3 m120 45.83 64.1 8.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.9 154.43 43.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 85' ' ' VAL . 31.7 m -118.33 160.41 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.26 -45.36 65.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -46.07 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.47 -49.01 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 90' ' ' THR . 90.4 t -57.96 -36.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -32.0 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -49.25 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.51 10.07 58.37 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.61 17.88 19.39 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.59 0.818 . . . . 0.0 109.367 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -105.55 -35.57 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.05 -3.54 84.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 47.5 m-70 -83.39 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.86 173.83 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 133' ' ' GLN . 4.0 tp10 -83.6 114.82 21.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.57 164.0 23.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.0 t -142.04 135.98 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -89.74 130.91 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.726 HD11 ' CE2' ' A' ' 59' ' ' PHE . 2.7 mp -126.96 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 44' ' ' ILE . 84.5 t -114.94 114.63 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.629 ' CD2' HD11 ' A' ' 110' ' ' LEU . 14.4 p90 -134.42 165.07 26.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.63 136.13 19.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.02 -13.17 21.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 -10.44 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.3 t -112.75 -56.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 100' ' ' TYR . 17.9 tt -117.93 163.34 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.3 p -117.85 155.95 29.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 30.5 p90 -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 9.4 tt0 -58.72 -41.14 85.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.55 -51.56 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.629 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.9 mt -57.03 -39.62 75.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 138' ' ' ILE . 7.0 mt -71.22 -33.53 69.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -58.88 -55.39 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.53 -35.86 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 7.5 t80 -48.85 -56.87 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.83 -21.2 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 3.87 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.721 ' OD1' HG22 ' A' ' 113' ' ' VAL . 26.4 m120 -130.55 -47.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' PHE . 2.1 t-160 -138.71 146.53 41.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 141.23 31.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.07 0.93 8.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.67 48.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 118' ' ' HIS . 3.7 tp-100 -96.0 4.92 52.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 170' ' ' THR . . . 62.25 -179.36 4.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 62.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 179.91 157.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -149.16 142.56 25.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.21 -120.75 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 14.81 23.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 22.9 m-20 -110.59 137.91 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -120.14 143.42 48.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.603 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.1 166.35 14.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.8 p -80.38 0.28 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -93.62 -27.09 16.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 40.1 m-85 -97.73 62.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -119.27 -173.4 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 131.46 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -159.91 142.45 13.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.526 HD13 ' CD2' ' A' ' 111' ' ' LEU . 96.1 mt -117.76 125.7 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.567 1.167 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -115.51 86.79 15.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 44' ' ' ILE . 22.2 mt -112.27 -32.28 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.0 p -105.07 164.03 15.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.17 9.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.93 -32.25 67.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.28 -38.07 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -63.28 -50.93 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.83 77.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.27 74.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.89 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 155' ' ' ARG . . . -54.56 -40.95 69.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.2 p -69.55 -40.65 76.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.39 1.056 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 171' ' ' THR . 5.5 tt -62.23 -47.1 85.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.88 -40.82 75.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 151' ' ' ALA . 26.3 mtt85 -69.06 -33.87 74.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.235 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 38.7 t80 -67.14 -39.06 86.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HB2' HD11 ' A' ' 169' ' ' ILE . 34.9 tt0 -51.78 -39.8 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.51 35.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.55 19.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -60.2 -34.05 73.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 161' ' ' LEU . 0.6 OUTLIER -63.24 -41.55 99.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.69 65.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.02 46.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.02 30.45 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.69 111.02 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 19.13 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 147.32 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -87.3 140.13 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.974 HG23 HG22 ' A' ' 171' ' ' THR . 60.0 mt -76.44 107.61 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.539 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.5 t -93.11 -19.22 21.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.974 HG22 HG23 ' A' ' 169' ' ' ILE . 9.9 t -57.29 146.65 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 135' ' ' ARG . 0.3 OUTLIER -138.59 138.67 38.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.4 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 3.6 mt -117.11 129.2 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -150.44 157.3 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -48.71 147.04 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.52 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -58.5 120.59 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.7 p -93.41 163.04 26.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 97' ' ' ARG . 19.5 p90 -85.86 149.41 25.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.77 134.61 49.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.059 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -65.55 141.95 58.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.34 167.83 13.19 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.86 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.58 -36.19 80.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.09 -30.69 60.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 91.0 m-70 -91.73 -39.95 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 119.23 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 28' ' ' HIS . 1.2 mt-30 53.43 50.52 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.576 ' CD1' ' CD2' ' A' ' 53' ' ' TRP . 57.8 t80 -65.24 -51.23 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.567 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -49.21 -28.25 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.797 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.37 -36.99 71.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.589 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 192' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 189' ' ' TYR . 3.5 tttp -78.33 -36.35 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.408 ' OD1' ' CD1' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -119.78 102.0 47.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -17.98 19.38 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 195' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 2.1 p90 -102.66 19.24 19.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.59 -169.87 41.32 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.567 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.495 0.188 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.79 42.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.63 150.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.231 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 157.55 33.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HD23 ' A' ' 27' ' ' LEU . 32.2 m -89.74 -33.18 16.67 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 26' ' ' THR . 44.9 mt -129.02 157.96 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.86 168.74 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.572 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.844 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.57 -64.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -90.41 -47.68 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -58.37 -32.81 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 56.67 16.37 16.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -99.7 162.97 12.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 0.715 . . . . 0.0 109.586 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 m -60.73 120.22 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -42.93 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -66.12 -50.91 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.79 125.47 27.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -104.37 136.1 19.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 150.21 38.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.57 139.28 55.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.98 -15.84 59.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.585 1.178 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.91 162.21 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.94 165.43 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 99' ' ' VAL . 12.0 mt -109.87 147.34 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -131.62 125.07 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 139' ' ' TYR . 3.5 mt -104.16 132.03 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 65.4 m-85 -150.42 140.71 22.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -110.8 109.7 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.9 13.9 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.47 -129.56 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.5 p -42.44 109.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' HB2' ' CG1' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -80.7 -4.73 55.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.78 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 18.0 m0 -71.72 -53.61 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.045 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.61 -42.35 17.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -54.5 -58.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.3 pt-20 -54.37 -44.99 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HD3' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -62.65 -54.8 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -36.73 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 5.3 m-85 -80.3 -34.5 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.553 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -63.59 -53.65 48.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -68.55 -7.82 35.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.797 ' CD1' HG11 ' A' ' 113' ' ' VAL . 5.3 tt -68.44 137.75 91.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.501 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 123.11 -13.77 8.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.26 123.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.46 -52.65 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -155.68 160.81 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.443 HG22 HG23 ' A' ' 98' ' ' ILE . 7.7 p -137.42 168.57 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.41 159.54 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.994 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.34 135.94 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.26 -164.73 15.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.557 1.161 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 0.9 OUTLIER -148.71 147.39 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.421 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.1 t -170.07 163.02 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.34 -12.98 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -98.64 -167.72 31.02 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -109.81 -36.14 5.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 63.8 m -55.24 115.1 8.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.32 16.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.58 ' OD1' ' CE1' ' A' ' 180' ' ' TYR . 8.9 m-20 60.36 62.24 3.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.02 169.74 21.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -122.81 150.51 42.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.95 -34.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -57.04 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 54.3 mt-10 -56.89 -49.8 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.9 -46.58 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.8 t -49.77 -42.61 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -68.86 -38.87 80.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.6 25.66 24.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 14.18 31.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 80.5 p -112.19 -25.15 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.68 -10.96 65.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 49.9 m-70 -78.26 146.8 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.558 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.07 175.16 6.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -70.45 121.47 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.0 152.82 42.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.205 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.994 HG12 ' HA ' ' A' ' 70' ' ' ALA . 5.1 m -140.39 147.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' CG ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -101.57 115.81 31.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.713 HD13 ' CD2' ' A' ' 59' ' ' PHE . 2.9 mp -108.96 129.57 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 44' ' ' ILE . 23.0 t -105.27 114.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CG ' HD11 ' A' ' 110' ' ' LEU . 19.0 p90 -130.81 165.13 23.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.37 135.78 19.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -12.52 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -89.51 -21.7 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' HA2' ' A' ' 64' ' ' GLY . 74.5 t -94.27 -63.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 110' ' ' LEU . 17.3 tt -117.03 155.78 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.3 p -108.12 142.93 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.4 p90 -46.35 -28.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.609 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -69.54 -40.75 76.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.17 -36.96 80.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 100' ' ' TYR . 32.2 mt -62.96 -45.88 90.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 12.4 mt -64.9 -36.46 84.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.2 83.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.797 HG11 ' CD1' ' A' ' 62' ' ' LEU . 2.6 t -68.02 -43.57 85.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.787 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -72.18 -23.8 61.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 26.7 m95 -76.08 -25.81 55.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.65 -0.02 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -124.28 21.78 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -169.68 145.53 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.57 141.45 23.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.06 9.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.63 48.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.93 -17.53 46.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.218 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.96 -155.67 48.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.1 mtt -85.3 48.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -155.96 155.15 32.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -143.26 112.68 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.11 -118.4 13.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.34 23.91 9.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -114.04 133.26 55.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.83 127.24 53.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.653 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 162.19 154.7 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.6 p -77.0 0.38 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -5.07 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -107.41 39.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.06 -179.62 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.2 m -127.76 116.1 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.15 159.09 44.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.6 HG22 ' HD3' ' A' ' 140' ' ' PRO . 52.9 mt -118.87 130.01 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.567 ' CD2' HG22 ' A' ' 46' ' ' ILE . 67.1 m-85 -116.11 81.81 10.65 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.99 160.37 40.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 176' ' ' ALA . 4.3 mp -117.69 -10.31 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.5 OUTLIER -121.69 162.1 38.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.444 ' HA ' ' OD2' ' A' ' 146' ' ' ASP . 18.5 Cg_endo -74.97 -39.32 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.48 -30.52 71.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.474 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.5 tt0 -72.92 -40.74 65.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 143' ' ' PRO . 3.2 m-20 -61.25 -49.64 76.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.91 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.69 97.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.15 50.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.499 ' HG2' HD13 ' A' ' 173' ' ' ILE . 4.2 mtt180 -67.16 -48.32 68.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.38 72.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.439 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 89.8 p -69.52 -33.36 72.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 153' ' ' LEU . 4.0 tt -67.84 -51.88 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.7 -40.59 95.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -60.14 -43.07 95.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 2.7 m-85 -72.2 -31.52 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 160' ' ' MET . 21.2 tt0 -52.1 -33.94 41.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.35 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.04 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 157' ' ' GLN . 22.5 ptm -55.88 -36.22 67.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 165' ' ' ASP . 0.7 OUTLIER -59.41 -42.77 92.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.7 -23.44 64.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.13 5.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 16.9 t0 77.0 7.9 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.537 ' O ' HD12 ' A' ' 161' ' ' LEU . 13.1 m-20 -79.33 91.76 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.63 17.04 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 160.12 24.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -91.7 123.42 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.638 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.775 HG23 HG22 ' A' ' 171' ' ' THR . 7.7 mt -56.59 130.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 72.5 p -105.08 -22.98 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.775 HG22 HG23 ' A' ' 169' ' ' ILE . 10.5 t -64.17 134.75 55.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.499 HD13 ' HG2' ' A' ' 150' ' ' ARG . 3.2 mt -125.01 122.13 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.76 142.04 38.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -43.74 151.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -63.39 128.47 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.537 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.2 OUTLIER -102.6 -175.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.99 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 97' ' ' ARG . 7.0 p90 -81.98 149.79 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.58 ' CE1' ' OD1' ' A' ' 79' ' ' ASN . 40.6 m-85 -125.87 122.7 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -60.34 135.42 57.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.19 169.19 13.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.21 147.2 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.0 -33.08 74.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -40.8 63.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -90.86 -28.53 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.453 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -61.23 136.76 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.844 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 1.3 pt20 41.81 42.99 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.78 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 17.0 t80 -63.08 -57.88 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 57' ' ' ARG . 6.2 tp -53.61 -22.74 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 188' ' ' GLN . 9.9 m170 -73.16 -42.62 62.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.08 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.36 109.25 8.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -106.42 26.29 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -84.86 -160.26 32.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.6 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.461 0.172 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.68 22.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -105.08 141.59 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.72 163.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 83.3 m -85.89 -42.41 14.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -123.88 176.76 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 58.7 t-80 -79.12 168.8 19.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.66 -64.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 191' ' ' HIS . 3.7 t -90.27 -47.7 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.535 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.1 -34.42 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 57.36 15.42 16.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -100.58 169.91 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.96 121.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -79.06 -52.57 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.3 p -66.15 -53.6 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.21 136.08 43.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' THR . 72.1 t -126.55 126.55 24.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.463 ' HG2' ' HE3' ' A' ' 42' ' ' MET . 18.6 Cg_endo -74.96 146.13 32.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.46 124.32 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.7 -21.87 33.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.487 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 27.9 tpp -81.19 153.34 27.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.48 165.47 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.837 HG12 HG22 ' A' ' 99' ' ' VAL . 5.9 mt -113.56 151.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.97 124.96 16.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 28.6 mt -105.17 130.1 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.4 m-85 -143.2 139.82 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.75 111.43 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.592 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 11.7 mmm -128.84 17.08 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 79.91 -124.35 6.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.6 p -41.89 109.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 34.8 p90 -85.59 -1.54 57.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.667 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.8 m0 -70.51 -60.54 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.46 -43.85 18.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' A' ' 58' ' ' LEU . 78.1 t -51.74 -51.27 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 66.6 tt0 -63.28 -34.23 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.62 -39.88 76.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.847 HD22 ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -64.36 -44.0 92.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.3 m-85 -66.35 -37.33 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.07 -38.24 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -76.22 -0.73 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.4 mt -86.86 134.5 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.821 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 115.16 4.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.06 -5.67 10.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -95.44 115.42 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -70.6 -44.26 67.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -163.14 163.36 25.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -136.2 162.81 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.837 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.94 159.01 43.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB3' ' NE2' ' A' ' 187' ' ' GLN . . . -113.57 150.13 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.64 -177.07 41.75 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.472 1.108 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 2.9 p90 -133.09 151.47 52.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 9.5 t -170.62 171.46 6.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.07 -20.65 48.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.89 -172.45 43.97 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -111.08 -29.86 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 28.5 m -54.38 123.48 43.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.04 137.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.4 m120 40.38 63.14 5.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 167.13 27.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -124.98 159.02 32.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.92 -48.75 60.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -54.61 -30.24 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -46.56 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.674 HG11 ' OE1' ' A' ' 94' ' ' GLU . 39.1 t -61.35 -49.59 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -42.07 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -50.18 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.7 17.1 17.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.48 30.11 4.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -122.68 -35.49 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.45 -1.13 86.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.3 m-70 -84.81 144.1 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.726 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -99.51 175.18 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.674 ' OE1' HG11 ' A' ' 85' ' ' VAL . 75.1 mm-40 -90.38 118.14 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.12 157.24 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 69' ' ' ALA . 74.7 t -133.49 129.87 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 1.7 ttt180 -88.54 120.13 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.4 mp -114.19 139.14 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.837 HG22 HG12 ' A' ' 44' ' ' ILE . 57.4 t -120.98 114.46 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.582 ' CD2' HG23 ' A' ' 105' ' ' ILE . 13.5 p90 -137.49 165.38 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -104.6 138.5 19.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.82 20.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.2 t -88.49 -19.9 25.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.8 t -104.39 -60.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 100' ' ' TYR . 16.9 tt -121.26 157.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 157.7 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.0 p90 -61.81 -29.22 70.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 111' ' ' LEU . 1.4 tt0 -64.51 -41.81 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.38 -36.24 83.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.48 -39.56 85.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 108' ' ' GLU . 9.2 mt -62.62 -38.55 90.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.88 -44.33 82.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.625 HG11 HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -62.07 -51.78 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -53.66 -34.61 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 156' ' ' PHE . 6.7 m0 -65.18 -33.23 75.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 107.963 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.19 8.2 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.847 ' ND2' HD22 ' A' ' 58' ' ' LEU . 2.8 m120 -125.95 8.04 7.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 49' ' ' MET . 0.1 OUTLIER -170.76 169.22 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.595 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -123.43 140.72 34.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.492 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.6 Cg_endo -74.98 -0.32 9.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.35 50.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 136' ' ' SER . 0.0 OUTLIER -77.19 -19.86 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.16 -158.14 45.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.636 ' HG3' HG22 ' A' ' 132' ' ' THR . 0.0 OUTLIER -88.18 42.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 0.805 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER 179.8 148.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -137.9 121.27 17.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.51 -115.36 7.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -106.11 6.59 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 8.8 m-20 -111.49 131.02 55.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 0.4 OUTLIER -114.02 154.78 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.545 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 129.28 162.63 10.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.636 HG22 ' HG3' ' A' ' 124' ' ' MET . 68.7 p -81.9 1.58 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 3.2 mp0 -87.89 5.15 41.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 89.2 m-85 -125.1 19.42 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -74.99 164.13 26.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.452 ' N ' ' OE1' ' A' ' 122' ' ' GLN . 21.7 t -99.16 105.5 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.27 142.41 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.526 HG22 ' HD3' ' A' ' 140' ' ' PRO . 6.1 mt -109.86 132.66 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -124.61 86.06 55.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.526 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.07 171.16 18.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.0 mm? -115.77 -9.29 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.4 p -124.07 160.68 51.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.81 10.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.45 -33.16 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.34 -31.15 62.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -47.22 63.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.85 -37.64 82.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.06 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.73 45.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.68 -41.26 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -53.91 -36.66 62.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 3.3 p -74.15 -39.42 63.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -57.46 -51.69 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 151' ' ' ALA . 7.0 pt-20 -58.49 -33.67 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -77.07 -41.55 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CD2' ' CE2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -55.12 -44.35 74.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.89 -41.21 61.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.204 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.29 54.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.09 -56.23 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' A' ' 169' ' ' ILE . 4.7 ptm -64.51 -34.48 78.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.34 -37.58 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.77 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.09 -3.8 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 81.95 27.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.43 98.93 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.33 -5.95 57.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' CE ' ' A' ' 160' ' ' MET . 26.1 mmm-85 -56.04 159.9 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.05 129.31 46.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.672 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 171' ' ' THR . 1.8 pt -67.08 121.58 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -91.86 4.99 51.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 169' ' ' ILE . 8.8 t -82.07 150.24 27.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 156.01 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.422 ' CG1' ' HB ' ' A' ' 138' ' ' ILE . 1.7 mp -122.44 132.03 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.88 162.49 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -50.5 155.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.24 13.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 23.1 p -88.49 161.26 42.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.33 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -80.34 150.15 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.067 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 38.8 m-85 -107.71 136.25 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.15 141.21 58.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.99 167.79 12.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.3 146.09 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.417 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 5.6 p-10 -58.08 -35.81 71.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -27.08 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.4 m170 -91.06 -32.47 15.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.569 ' NE2' ' HB3' ' A' ' 70' ' ' ALA . 81.7 mm-40 -56.35 129.52 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.237 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.561 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 12.9 mp0 44.32 48.88 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.559 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 6.6 t80 -61.7 -52.36 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.615 1.197 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -48.86 -26.37 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.675 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.09 -38.03 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 192' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -67.14 -33.04 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.33 108.02 19.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.73 16.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -106.27 16.3 25.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -72.82 -167.48 10.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.718 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.497 0.189 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -75.08 147.58 33.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.28 141.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 157.37 13.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.443 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -81.99 -36.38 27.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.472 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 26' ' ' THR . 12.2 mt -138.89 151.49 46.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.4 t-80 -54.29 166.85 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.613 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.22 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.88 -48.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.42 -29.24 65.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.32 21.1 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -99.55 168.23 10.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 m -73.18 123.23 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -41.07 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -69.18 -51.29 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.25 129.63 42.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.227 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -124.34 118.42 26.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 149.24 36.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.51 130.98 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 95.55 -24.09 30.93 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 44.4 tpp -71.0 144.16 50.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 6.0 tt0 -139.82 159.76 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.848 HG12 HG22 ' A' ' 99' ' ' VAL . 4.4 mt -111.88 154.9 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -140.45 125.55 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 139' ' ' TYR . 10.1 mt -93.48 124.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 29.0 m-85 -136.76 151.7 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -134.27 110.38 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -132.35 37.04 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 73.03 -129.34 12.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.688 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.0 m -41.17 110.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.725 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -85.73 -10.46 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.725 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -62.65 -56.61 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.48 -46.92 11.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.2 t -50.67 -58.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -35.17 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 52.0 ttt-85 -70.86 -43.85 67.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.7 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -54.12 -55.06 31.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.526 ' CG ' HG12 ' A' ' 98' ' ' ILE . 27.5 m-85 -61.97 -33.89 75.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.61 -40.98 98.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.507 HE21 ' HB3' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -78.91 -22.25 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.938 ' CD1' HG11 ' A' ' 113' ' ' VAL . 14.5 mt -59.14 134.89 87.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 113.51 3.8 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 123.28 -5.36 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 59' ' ' PHE . 88.0 t -93.76 117.18 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.0 t80 -73.5 -43.04 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.165 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -171.01 162.06 7.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -128.96 168.54 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.46 152.21 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -110.31 139.29 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -170.08 -171.15 35.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.18 151.04 52.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.507 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.9 t -166.78 164.78 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -22.72 17.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.07 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.53 -178.9 35.3 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -105.39 -27.18 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -51.0 118.15 9.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.05 13.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 8.7 m120 53.18 63.77 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.07 163.68 34.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 85' ' ' VAL . 77.6 p -122.36 154.84 37.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -51.27 -42.46 61.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -48.46 77.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HB3' HG21 ' A' ' 90' ' ' THR . 29.0 mt-10 -56.95 -49.94 74.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.4 t -58.97 -46.08 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.98 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -50.03 45.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.74 18.72 22.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.575 1.172 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -100.03 16.47 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 84' ' ' GLU . 59.9 p -116.76 -35.02 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.21 -10.66 72.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 66.7 m-70 -64.77 147.06 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.06 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.8 mt-10 -73.13 119.23 17.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.74 153.21 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.0 m -142.98 141.41 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.692 ' NE ' HG21 ' A' ' 44' ' ' ILE . 1.5 mtt180 -89.92 130.9 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.526 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -116.71 123.83 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.848 HG22 HG12 ' A' ' 44' ' ' ILE . 45.0 t -101.28 114.59 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.459 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 20.1 p90 -131.2 161.3 32.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 137.0 20.05 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.6 Cg_endo -74.99 -7.72 19.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -88.0 -14.46 39.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.4 t -114.99 -62.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 15.3 tt -113.39 165.5 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' A' ' 105' ' ' ILE . 98.4 p -114.55 167.32 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.921 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.0 p90 -70.55 -40.56 73.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.833 ' HA ' HD12 ' A' ' 111' ' ' LEU . 6.7 pt-20 -62.29 -34.1 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.1 mt-30 -62.22 -44.71 95.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.94 -48.42 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 108' ' ' GLU . 6.0 mt -54.92 -45.87 74.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -61.06 -37.83 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.938 HG11 ' CD1' ' A' ' 62' ' ' LEU . 30.9 t -62.53 -39.09 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -61.37 -38.74 88.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.834 ' CH2' HD11 ' A' ' 138' ' ' ILE . 2.4 m95 -86.33 -22.24 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' GLN . 4.7 mt-10 -92.79 0.94 57.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 21.9 t-20 -111.22 -47.72 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 126' ' ' GLN . 3.3 t-160 -142.74 167.14 22.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 123.6 68.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.96 1.4 7.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -109.35 50.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -106.88 -5.66 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.483 ' N ' HG21 ' A' ' 170' ' ' THR . . . 63.02 -142.8 48.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 44.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.92 156.88 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 118' ' ' HIS . 43.5 tp60 -139.91 110.89 6.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.89 -114.75 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -103.84 16.28 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.84 144.17 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -120.02 146.96 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.24 149.99 5.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.9 m -72.69 -6.1 42.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.773 . . . . 0.0 110.446 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 85' ' ' VAL . 17.7 mp0 -91.68 -3.43 56.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.469 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 51.6 m-85 -113.95 54.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.9 179.33 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -113.78 121.96 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.33 145.48 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.834 HD11 ' CH2' ' A' ' 115' ' ' TRP . 85.4 mt -115.28 138.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 46' ' ' ILE . 31.1 m-85 -132.08 83.48 56.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.0 166.15 29.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.93 -21.98 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.208 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.5 p -108.09 160.8 25.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -75.68 -36.72 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 54.3 tt0 -65.6 -37.8 87.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -65.08 -50.47 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.97 -37.02 75.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.5 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -74.2 -34.32 63.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.497 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -67.82 -54.75 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -65.98 -30.18 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -71.82 -33.99 68.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 54.2 p -77.49 -25.71 50.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.772 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -67.27 -49.37 64.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.635 ' N ' HD23 ' A' ' 153' ' ' LEU . 12.2 pt-20 -67.61 -36.73 81.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 160' ' ' MET . 10.9 t80 -71.47 -35.63 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.18 -44.32 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.36 -34.16 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -54.09 -56.57 16.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 156' ' ' PHE . 3.2 ptt? -64.52 -37.08 86.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 161' ' ' LEU . 3.6 tp -51.28 -45.88 62.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.11 -24.47 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -87.99 7.11 32.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.0 t0 75.04 18.97 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.64 94.08 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 19.84 5.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.99 162.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -93.27 129.8 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.545 HD11 ' HD2' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -76.37 113.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.483 HG21 ' N ' ' A' ' 123' ' ' GLY . 16.7 p -94.17 -28.9 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 169' ' ' ILE . 0.0 OUTLIER -41.82 132.92 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -134.31 130.46 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.443 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 2.9 mt -106.91 132.06 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.53 162.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -49.1 141.03 8.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.5 118.32 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.507 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.7 OUTLIER -82.88 167.08 32.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.5 Cg_endo -74.9 80.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.568 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 25.6 p90 -61.13 150.59 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.43 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 20.5 m-85 -124.41 120.22 31.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.84 118.7 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -76.24 170.13 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 153.9 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.94 -33.15 74.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -35.55 49.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.86 -45.9 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 6.4 mt-30 -51.15 132.61 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 47.36 47.57 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.62 ' CE1' ' CE3' ' A' ' 53' ' ' TRP . 21.8 t80 -63.99 -51.24 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -49.81 -24.8 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.29 -39.55 47.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -37.5 79.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.6 94.43 48.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.17 20.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -100.03 -4.32 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -58.78 -157.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.562 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.501 0.191 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.46 27.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.7 t -118.64 152.73 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.79 158.18 18.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 35.4 m -81.28 -38.02 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' THR . 16.3 mt -132.3 154.31 49.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.0 t-80 -57.65 171.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.863 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -71.75 -64.59 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.4 t -91.66 -52.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 17.5 m120 -57.65 -25.87 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 40.32 28.85 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASN . 3.0 m-70 -100.43 159.68 14.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 0.744 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -44.68 119.46 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -48.39 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.4 p -89.24 -51.46 5.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.73 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 56.9 t -118.88 124.53 28.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.92 37.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.22 126.41 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.25 -9.23 49.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.495 ' HB3' HG13 ' A' ' 38' ' ' VAL . 27.9 tpp -95.98 146.76 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -132.43 164.85 25.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.833 HG12 HG22 ' A' ' 99' ' ' VAL . 4.6 mt -115.51 155.56 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.796 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -141.95 128.06 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.205 HG21 ' CE1' ' A' ' 179' ' ' PHE . 3.8 mp -113.44 132.23 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.796 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -149.45 146.64 27.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.53 122.93 47.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.482 ' HE3' ' HA ' ' A' ' 114' ' ' PHE . 3.2 mtp -142.19 46.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 126' ' ' GLN . . . 63.99 -131.89 39.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -42.55 111.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 1.8 p90 -83.62 -8.94 59.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 189' ' ' TYR . 37.3 m0 -70.3 -54.16 13.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.01 -37.15 44.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 51' ' ' CYS . 93.3 t -65.26 -57.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt0 -55.08 -30.32 59.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.625 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.8 ttt180 -59.6 -55.08 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.022 HD11 HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD1' HG12 ' A' ' 98' ' ' ILE . 3.2 m-85 -66.3 -52.19 49.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.626 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -67.41 -39.93 85.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.054 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.12 0.08 20.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.85 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -77.0 129.64 77.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.99 108.62 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.05 -3.24 6.84 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 68' ' ' THR . 2.8 t -98.89 123.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -71.57 -44.53 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 m -165.32 161.69 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 98' ' ' ILE . 80.6 p -134.44 167.31 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -158.29 149.28 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.557 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -103.85 145.75 29.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.03 -172.45 31.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -127.16 153.17 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 179' ' ' PHE . 10.9 t -170.56 173.94 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.16 -8.22 72.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.21 -173.17 19.16 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -110.2 -31.38 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -51.46 117.72 9.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 138.14 22.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 0.8 OUTLIER 46.82 64.15 8.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.06 161.25 38.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.767 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 t -125.07 163.86 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -57.23 -41.77 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -54.14 50.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 81' ' ' THR . 69.2 mt-10 -61.84 -49.29 76.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 81' ' ' THR . 93.9 t -53.7 -49.39 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.5 t -51.49 -39.12 56.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -49.77 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.46 20.5 10.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -99.43 19.6 15.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 20.3 p -115.35 -32.07 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.95 2.79 87.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 89.5 m-70 -91.63 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.83 174.96 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -81.0 115.51 20.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.34 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 69' ' ' ALA . 18.9 t -150.07 134.98 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.57 120.67 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.364 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.569 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.2 mp -115.26 133.6 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.833 HG22 HG12 ' A' ' 44' ' ' ILE . 95.6 t -111.47 114.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -131.3 164.69 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.98 138.79 22.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -74.92 -3.03 13.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -19.21 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.062 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' A' ' 64' ' ' GLY . 66.8 t -108.22 -61.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 tt -113.41 168.44 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -124.68 153.1 42.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 5.2 p90 -57.25 -27.5 62.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 24.7 tt0 -66.57 -40.67 89.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.87 -45.5 85.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 21.9 mt -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 57.1 mt -57.09 -43.06 81.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.577 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 11.8 tt0 -61.14 -36.06 78.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.022 HG13 HD11 ' A' ' 58' ' ' LEU . 2.3 t -64.27 -44.47 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 7.0 m-30 -49.85 -52.09 35.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -67.39 -35.46 79.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 108.018 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.19 3.56 20.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.74 ' C ' HD21 ' A' ' 117' ' ' ASN . 0.2 OUTLIER -112.89 -44.69 3.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -165.09 169.99 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.8 144.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.44 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.52 50.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 123' ' ' GLY . 0.0 OUTLIER -100.01 20.27 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.562 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 48.63 -134.71 20.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.71 61.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.95 160.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.464 ' CB ' ' HA3' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -145.68 132.21 19.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.581 1.175 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.39 -130.41 44.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -91.78 12.77 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.1 m-20 -106.92 130.87 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -119.77 144.8 47.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.27 158.52 8.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 132' ' ' THR . 5.7 m -78.34 -1.06 31.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.471 0.747 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.79 -11.05 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 26.0 m-85 -104.07 52.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -94.47 -175.25 3.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.8 t -117.33 125.59 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.25 150.51 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 ' CE1' ' A' ' 47' ' ' PHE . 25.9 mt -125.01 130.58 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -121.26 84.7 41.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -74.99 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 176' ' ' ALA . 3.7 mm? -119.32 -36.06 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.428 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 58.9 p -91.63 161.52 33.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -27.35 10.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.16 -32.74 61.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -72.0 -39.1 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 142' ' ' THR . 2.7 m-20 -59.34 -50.09 75.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.05 81.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -62.7 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . . . -58.05 -54.11 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.241 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -63.15 -37.05 85.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.51 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 13.0 p -77.99 -33.33 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.049 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.9 tt -57.67 -51.14 70.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.54 -34.03 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -69.05 -42.59 76.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -63.1 -42.25 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.45 -37.76 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.15 -43.42 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.85 -53.42 56.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 167' ' ' ARG . 17.5 mtp -58.05 -48.44 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 165' ' ' ASP . 2.1 mp -56.78 -39.38 73.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.63 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -91.77 9.0 34.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.22 24.2 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.6 OUTLIER -106.31 104.69 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.76 15.13 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.424 ' HB3' ' HE3' ' A' ' 160' ' ' MET . 3.7 tpt180 -50.55 145.81 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -91.97 121.38 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.599 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.487 ' CG2' HG22 ' A' ' 171' ' ' THR . 63.7 mt -63.13 130.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.562 HG21 ' HA2' ' A' ' 123' ' ' GLY . 73.8 p -116.57 14.94 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.487 HG22 ' CG2' ' A' ' 169' ' ' ILE . 2.6 t -86.88 146.63 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.85 142.45 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.91 127.96 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.9 161.78 39.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -49.85 161.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -78.88 127.44 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.524 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 7.1 p -100.3 171.26 5.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -75.01 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 1.205 ' CE1' HG21 ' A' ' 46' ' ' ILE . 4.1 m-85 -69.0 148.9 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -109.7 125.95 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.22 136.59 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.93 169.27 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.72 135.41 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.3 -30.04 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -36.81 70.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -85.61 -48.57 8.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.557 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 33.8 mt-30 -50.13 130.84 23.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 1.3 mp0 65.07 39.32 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.634 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 11.7 t80 -59.93 -57.26 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.25 -23.89 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.863 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.78 -46.28 38.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.61 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -56.78 -37.69 71.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -135.43 104.4 10.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.65 21.34 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -103.33 8.13 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.81 -155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.518 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.763 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.495 0.188 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.68 29.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.96 149.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.99 166.31 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.8 m -77.5 -45.08 26.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 mt -115.38 157.34 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.11 170.93 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.8 -63.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.714 HG22 ' ND1' ' A' ' 191' ' ' HIS . 5.5 t -91.34 -52.55 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.57 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 11.0 m120 -56.94 -28.79 62.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.23 20.87 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.416 1.073 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -100.37 170.22 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 0.729 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -60.99 119.95 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.11 -55.03 5.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 p -76.29 -42.86 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.74 129.71 37.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.053 HG21 HD11 ' A' ' 44' ' ' ILE . 58.6 t -120.82 121.51 28.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 42' ' ' MET . 18.4 Cg_endo -75.01 140.37 25.35 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.44 141.75 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.93 -32.43 5.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -114.46 158.45 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' HG21 ' A' ' 142' ' ' THR . 4.9 pt-20 -126.85 174.71 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.053 HD11 HG21 ' A' ' 38' ' ' VAL . 6.5 mt -105.25 148.57 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -133.57 126.99 32.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 179' ' ' PHE . 3.7 mp -109.71 136.66 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.638 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 23.8 m-85 -147.61 144.17 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -114.85 120.71 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 55' ' ' VAL . 1.4 ttm -138.13 11.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 94.48 -128.34 9.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.3 p -41.86 110.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 31.0 p90 -85.94 -2.29 58.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.747 ' HB3' HD23 ' A' ' 190' ' ' LEU . 40.0 m0 -70.2 -60.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.96 -44.42 14.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' CYS . 77.3 t -52.68 -57.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 6.1 tt0 -60.79 -33.71 73.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -69.53 -38.21 77.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.47 -33.09 48.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -66.03 -53.7 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.765 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -68.01 -14.82 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.81 0.31 27.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -87.53 141.53 32.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 108.07 2.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.82 -2.78 6.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 60' ' ' TRP . 49.5 t -85.25 111.71 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 1.4 t80 -70.5 -43.64 69.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.13 165.03 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.494 ' CG2' HG11 ' A' ' 65' ' ' VAL . 67.9 p -149.35 143.55 25.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 160.3 40.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -112.85 140.76 47.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -158.86 -168.68 21.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.62 151.18 51.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 179' ' ' PHE . 10.0 t -167.44 168.96 12.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.2 -20.83 30.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -106.86 179.35 22.48 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -99.64 -26.49 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.422 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 46.1 m -50.99 114.09 4.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.5 13.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 180' ' ' TYR . 25.1 m-20 48.83 64.15 9.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.98 166.51 29.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.553 1.818 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 ' OE1' ' A' ' 84' ' ' GLU . 30.9 p -117.79 156.64 27.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.6 t80 -51.14 -39.32 56.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -52.7 39.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' HG23 ' A' ' 81' ' ' THR . 67.6 mt-10 -56.47 -47.77 78.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.597 HG12 ' OE1' ' A' ' 133' ' ' GLN . 78.1 t -63.64 -44.47 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -30.99 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -50.15 44.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.89 7.2 36.44 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.81 17.69 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -25.71 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.41 0.36 66.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 87.7 m-70 -87.38 155.36 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.668 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.07 173.3 8.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 2.0 tm-20 -75.8 117.99 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.01 158.88 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 70' ' ' ALA . 2.0 m -142.13 153.59 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.602 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -101.75 137.35 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 97' ' ' ARG . 5.2 mp -133.42 116.45 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG22 HG12 ' A' ' 44' ' ' ILE . 3.4 t -98.99 119.18 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -137.01 165.32 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.69 135.29 20.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -75.03 -9.43 20.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -89.71 -18.12 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.4 t -108.27 -56.46 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 tt -117.16 163.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -115.11 153.54 30.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 11.3 p90 -61.93 -27.35 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.8 tm-20 -65.74 -37.78 87.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.9 -39.54 87.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 100' ' ' TYR . 45.8 mt -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.529 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 5.0 mt -72.87 -33.24 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -60.59 -40.58 92.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.29 -35.37 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.39 -49.8 71.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.68 -23.46 58.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.977 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -92.19 5.73 49.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.563 ' OD1' HD13 ' A' ' 58' ' ' LEU . 57.1 t30 -116.15 -34.83 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 126' ' ' GLN . 75.2 t60 -170.11 168.52 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.33 140.63 22.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.577 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -75.04 0.65 8.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -104.22 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -14.98 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.78 -143.97 44.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.4 mtt -86.59 46.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.407 0.71 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 143.59 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -130.07 150.93 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.93 -128.34 25.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -103.75 15.67 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 1.2 p30 -113.94 145.22 41.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.562 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.82 157.21 7.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 132' ' ' THR . 5.6 m -78.8 0.13 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.597 ' OE1' HG12 ' A' ' 85' ' ' VAL . 10.7 tt0 -95.05 -22.83 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 129' ' ' ASP . 29.9 m-85 -91.28 43.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -88.65 -177.69 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.72 136.95 54.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.41 144.82 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 111' ' ' LEU . 22.4 mt -117.44 124.34 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -115.02 87.75 15.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 162.04 37.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' CB ' ' A' ' 176' ' ' ALA . 1.7 mp -110.84 -24.81 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.488 HG21 ' OE1' ' A' ' 43' ' ' GLU . 8.3 p -109.83 162.37 20.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.87 11.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.9 -32.58 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 149' ' ' ALA . 53.8 tt0 -74.49 -32.0 62.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -51.41 44.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.1 89.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.69 -41.05 65.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 145' ' ' GLN . . . -57.89 -52.99 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -32.7 74.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.67 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.8 p -78.61 -32.03 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.7 tt -64.13 -52.13 60.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.06 78.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -66.81 -43.6 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.577 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 8.6 t80 -61.73 -38.18 86.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -51.67 -40.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.98 32.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -62.24 -56.79 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -56.13 -36.06 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -58.67 -39.95 82.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.91 67.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -81.99 1.21 36.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.17 31.69 5.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.43 118.86 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.63 16.4 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 8.1 mmt180 -89.77 87.96 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 62.0 t-80 -59.71 129.06 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.658 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -52.29 134.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -105.91 -18.76 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 12.4 t -45.35 131.97 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 129.74 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.3 133.32 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.59 155.27 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.06 146.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 141' ' ' LEU . . . -64.12 117.95 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.618 ' O ' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -89.69 169.13 13.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -84.68 138.75 32.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 0.9 OUTLIER -104.43 130.73 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.436 ' OH ' ' NH2' ' A' ' 97' ' ' ARG . 58.6 m-85 -60.89 135.87 57.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.87 170.01 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.17 156.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -40.97 96.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -38.77 40.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 72.4 m-70 -79.09 -46.67 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.8 117.38 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 50.27 58.05 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.5 t80 -74.25 -35.47 63.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -68.66 -13.82 62.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.714 ' ND1' HG22 ' A' ' 30' ' ' VAL . 19.0 t60 -82.62 -37.44 24.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -24.97 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.27 113.41 8.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.93 13.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -108.49 14.84 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.38 -154.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.46 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 0.728 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 22' ' ' MET . 2.5 mpp? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.176 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 159.67 40.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.563 1.823 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -101.86 150.76 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.41 166.95 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 ' HG ' ' A' ' 27' ' ' LEU . 4.0 m -77.65 -45.06 26.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.738 ' HG ' HG22 ' A' ' 26' ' ' THR . 4.7 mt -135.97 165.24 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.546 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -55.29 167.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 188' ' ' GLN . . . -71.67 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 10.4 t -90.69 -47.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.546 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.74 -29.62 66.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 48.68 22.02 2.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t60 -100.53 170.11 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 109.58 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -49.35 125.84 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 2.2 mmt -79.38 -48.83 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 p -92.97 -49.7 5.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.32 126.63 21.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 44' ' ' ILE . 8.6 t -120.47 125.18 27.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.82 38.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.94 137.41 57.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.3 6.58 58.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.405 ' HB2' HG13 ' A' ' 38' ' ' VAL . 22.8 mmt -111.83 169.43 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -149.87 162.73 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 99' ' ' VAL . 10.5 mt -119.24 151.01 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.85 124.14 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.443 HG23 ' HB1' ' A' ' 95' ' ' ALA . 2.3 mp -90.04 126.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' HD2' HD13 ' A' ' 98' ' ' ILE . 2.0 m-85 -131.37 140.49 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -127.34 109.49 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 6.1 mtp -135.53 32.27 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -129.69 9.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -43.42 108.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 35.0 p90 -82.46 -3.18 55.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 45.8 m0 -71.15 -51.82 22.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.1 -30.7 54.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 51' ' ' CYS . 44.4 t -69.86 -57.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 16.6 pt-20 -51.92 -48.14 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -71.39 -26.42 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.736 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -68.92 -37.85 79.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 98' ' ' ILE . 18.0 m-85 -84.19 -35.0 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -51.57 67.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.23 -17.64 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.076 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -68.62 137.94 90.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.733 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.95 119.67 5.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.84 -11.86 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 68' ' ' THR . 71.0 t -95.08 114.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -68.9 -39.54 79.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -169.19 164.44 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 33.9 p -140.22 154.63 46.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -142.52 146.88 35.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -98.47 149.97 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.5 -173.01 36.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 1.3 p90 -136.83 146.77 46.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.408 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 11.3 t -168.79 163.06 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.363 1.039 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.19 -17.48 19.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.1 -157.87 33.47 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -119.48 -33.87 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 42.2 m -55.43 130.05 69.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.548 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 39.76 65.27 3.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.13 169.06 23.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 85' ' ' VAL . 25.7 m -91.85 163.03 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -69.51 -32.73 71.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -63.59 -39.19 93.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.402 1.064 . . . . 0.0 110.25 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 20.4 mt-10 -69.32 -45.36 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' THR . 88.7 t -54.58 -50.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.93 -41.97 59.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 108.259 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -63.97 -48.46 76.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.073 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.2 29.49 7.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -13.81 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 5.1 p -94.69 -33.67 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.67 60.8 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.598 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 68.8 m-70 -57.75 140.9 50.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.62 153.05 22.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.96 114.49 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 46' ' ' ILE . . . -125.14 168.31 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 43.8 t -147.72 133.56 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 1.2 ttm180 -84.9 122.36 29.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.2 mp -108.36 127.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 44' ' ' ILE . 46.0 t -112.11 120.94 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 p90 -149.89 166.21 30.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -107.38 136.81 19.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.7 Cg_endo -74.99 1.06 8.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -18.63 25.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.5 t -113.36 -60.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 16.4 tt -105.08 162.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 p -125.27 161.95 25.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 145' ' ' GLN . 26.9 m-85 -55.31 -39.29 69.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -42.54 95.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -61.98 -35.06 77.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 34.5 mt -75.32 -34.66 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.455 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 35.2 mt -75.45 -42.72 52.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 115' ' ' TRP . 2.7 pt20 -55.77 -40.61 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -70.9 -36.23 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 138' ' ' ILE . 6.2 t80 -45.78 -52.44 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -76.51 -33.57 58.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -7.19 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.736 ' ND2' HD13 ' A' ' 58' ' ' LEU . 13.0 t-20 -117.99 -50.34 2.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 16.4 t60 -144.0 130.27 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 18.4 p-10 -74.26 142.96 79.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.1 Cg_endo -75.05 0.15 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.04 47.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.45 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 1.2 tt0 -95.54 -18.14 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.467 ' H ' HG21 ' A' ' 170' ' ' THR . . . 86.26 -171.44 44.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 mtp -74.6 59.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 0.72 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 160.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.71 124.61 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.01 -116.14 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -97.42 2.94 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.93 116.79 30.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.33 144.56 34.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.49 164.86 12.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 30.3 p -83.0 -3.66 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -97.63 -7.77 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -109.3 39.57 2.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -100.01 164.53 11.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 110.213 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 59.9 p -88.51 136.87 32.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.0 135.02 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.795 HD11 ' CE2' ' A' ' 114' ' ' PHE . 13.8 mt -112.76 120.66 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.438 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.9 m-85 -116.55 85.08 15.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.46 41.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -26.58 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.42 HG21 ' OH ' ' A' ' 107' ' ' TYR . 74.3 p -103.6 161.01 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.28 10.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.0 -32.32 61.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.573 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 45.9 tt0 -70.03 -44.9 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -48.38 76.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.66 97.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.09 87.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.69 -54.07 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -61.45 -39.61 91.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.11 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -63.34 -42.42 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.695 HD12 ' CG2' ' A' ' 171' ' ' THR . 9.9 tt -61.2 -52.22 65.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.85 -34.55 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -40.28 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 88.2 t80 -59.91 -42.4 93.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.48 ' O ' HD13 ' A' ' 161' ' ' LEU . 5.5 tt0 -51.68 -39.5 58.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.88 37.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.97 -56.65 16.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.451 ' SD ' HD13 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -60.28 -33.88 72.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 157' ' ' GLN . 1.6 mp -63.42 -43.0 98.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.3 -18.74 65.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.11 -2.67 58.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 10.2 t0 79.09 25.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 161' ' ' LEU . 41.2 m-20 -109.72 108.71 19.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.98 16.58 8.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 132.87 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -82.98 126.37 32.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 171' ' ' THR . 2.7 mt -67.4 129.01 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.467 HG21 ' H ' ' A' ' 123' ' ' GLY . 15.0 t -104.91 -29.52 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.695 ' CG2' HD12 ' A' ' 153' ' ' LEU . 2.1 t -41.72 133.26 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.6 133.34 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.1 mt -107.54 118.0 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.27 156.76 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.95 141.39 28.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -49.45 125.18 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.3 p -95.95 164.05 19.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 73.92 4.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 31.9 p90 -73.54 149.95 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 8.8 m-85 -112.38 138.79 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.496 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 5.4 m-85 -62.88 143.07 57.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -85.03 170.05 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.44 157.57 3.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -42.37 97.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -37.37 37.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.86 -32.63 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -62.94 127.43 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.634 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER 54.34 41.29 32.06 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 20.4 t80 -62.74 -59.87 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.581 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -50.92 -23.05 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' ARG . 11.8 m170 -76.7 -47.07 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.13 106.03 19.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -11.11 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -102.87 12.47 36.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -69.83 -168.39 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.581 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.5 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 180' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.463 0.173 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.06 40.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 37.1 t -127.4 159.89 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -67.58 157.66 33.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 m -77.97 -44.89 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.29 158.17 25.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 68' ' ' THR . 58.7 t-80 -58.97 170.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.548 ' HB2' ' CD ' ' A' ' 188' ' ' GLN . . . -73.02 -65.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.469 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 14.2 t -91.22 -53.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.549 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 32.5 m120 -56.7 -27.0 58.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 45.7 22.93 0.82 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -100.36 170.37 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.641 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.55 119.03 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 mtp -81.71 -54.13 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -78.93 -56.08 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -61.28 128.21 35.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -107.7 137.53 19.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 143.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.806 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 127.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.63 51.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -93.85 165.28 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -142.17 162.99 34.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG22 ' A' ' 99' ' ' VAL . 5.5 mt -112.77 151.89 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -136.65 124.79 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 139' ' ' TYR . 14.4 mt -97.86 125.59 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -138.48 146.86 42.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.91 113.67 14.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 1.0 OUTLIER -130.08 12.43 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 95.67 -127.16 9.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -41.5 109.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 32.8 p90 -86.64 -1.82 58.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 50.0 m0 -70.12 -61.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.71 -43.22 15.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 55.7 t -52.44 -57.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HB2' HG11 ' A' ' 96' ' ' VAL . 4.4 tt0 -64.45 -33.28 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 tmt_? -64.55 -38.12 89.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -81.06 -40.68 23.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.83 -56.76 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -63.5 -15.75 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 mm-40 -85.81 -10.24 55.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 113' ' ' VAL . 82.4 mt -69.66 139.01 88.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.79 2.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.557 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.65 -2.98 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 60' ' ' TRP . 3.3 t -92.71 114.43 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.45 -45.98 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.23 155.8 41.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 4.4 m -150.91 141.49 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -139.49 159.74 41.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.22 148.36 31.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.08 -158.7 11.67 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' O ' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -146.65 150.88 36.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -170.63 167.22 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.92 -16.45 15.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.89 -169.82 43.86 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.07 -32.74 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.5 m -53.38 125.52 43.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.6 Cg_endo -74.95 142.56 28.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.561 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 1.3 m120 43.69 62.58 9.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' CE1' ' A' ' 72' ' ' TYR . 18.2 Cg_endo -75.01 158.9 41.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.9 m -125.08 150.03 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 t80 -55.49 -29.93 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -62.12 -57.51 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' OE2' HG22 ' A' ' 90' ' ' THR . 6.5 pt-20 -66.26 -37.61 85.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 81' ' ' THR . 32.2 t -50.0 -49.58 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -29.04 26.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.238 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -69.78 -28.26 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.88 13.51 83.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.584 1.177 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -100.13 25.02 7.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.542 HG22 ' OE2' ' A' ' 84' ' ' GLU . 5.4 p -120.28 -35.69 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.02 -8.46 78.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 66.9 m-70 -80.12 147.78 31.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -115.03 175.47 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.88 115.53 21.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.21 168.47 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -142.76 131.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -91.04 125.29 35.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 59' ' ' PHE . 2.7 mp -116.38 133.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.916 HG22 HG12 ' A' ' 44' ' ' ILE . 18.6 t -116.21 115.02 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 31.1 p90 -136.13 164.97 26.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.02 139.48 20.15 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.98 20.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -90.12 -24.21 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' A' ' 64' ' ' GLY . 48.2 t -97.47 -59.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.5 HG23 ' CD2' ' A' ' 100' ' ' TYR . 18.4 tt -119.45 163.61 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 p -116.41 159.12 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.6 p90 -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.631 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -63.59 -40.79 97.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.24 -33.38 75.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 62' ' ' LEU . 57.4 mt -73.04 -50.29 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 149' ' ' ALA . 2.6 mt -59.67 -41.31 90.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.621 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 3.2 tt0 -55.07 -52.08 64.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' ' 117' ' ' ASN . 34.5 t -52.84 -35.53 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 7.8 t80 -53.75 -46.63 70.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -88.14 -18.76 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' ' 113' ' ' VAL . 3.9 m-80 -131.06 -50.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 51.0 t60 -108.9 170.69 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.548 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 10.4 t0 -116.38 136.49 23.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 156' ' ' PHE . 18.2 Cg_endo -75.04 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' OD1' ' A' ' 119' ' ' ASP . . . -129.2 50.26 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG3' ' CE1' ' A' ' 118' ' ' HIS . 1.9 mm-40 -84.42 -20.37 31.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 -166.94 48.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.55 ' HE2' ' HB ' ' A' ' 132' ' ' THR . 0.8 OUTLIER -77.33 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 111.046 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.493 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 8.7 ptt-85 179.94 170.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.76 122.1 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.03 -123.85 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -91.58 -1.73 57.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 0.803 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.65 131.84 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.7 p80 -116.67 147.42 41.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.79 175.88 28.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.55 ' HB ' ' HE2' ' A' ' 124' ' ' MET . 1.9 t -89.88 -13.46 36.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 2.0 mt-30 -89.33 -6.7 56.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -106.87 29.12 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -89.51 178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.11 131.53 55.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.09 144.97 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.428 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.5 mt -117.68 129.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.477 ' HB2' HG22 ' A' ' 46' ' ' ILE . 51.2 m-85 -124.15 85.65 54.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.01 164.5 33.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.464 ' HA ' HD13 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -110.85 -21.76 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.5 p -112.97 162.92 19.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.5 6.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.68 -31.23 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -72.64 -40.41 66.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.45 85.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.42 83.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.04 70.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.08 -54.24 49.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.44 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 12.2 ptm180 -64.23 -31.68 72.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 155' ' ' ARG . . . -69.08 -45.55 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -58.14 -33.76 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -70.09 -51.22 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.21 -32.54 73.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 151' ' ' ALA . 47.0 ttt-85 -71.99 -41.42 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 120' ' ' PRO . 34.2 t80 -74.03 -37.92 64.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -57.76 -27.56 63.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.04 -33.93 44.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.36 -54.97 18.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 26.9 ptm -57.18 -34.48 68.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 165' ' ' ASP . 1.0 OUTLIER -65.37 -44.38 87.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.61 -17.52 60.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.35 16.96 12.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 62.63 19.69 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -93.71 105.28 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -89.32 15.64 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 155.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -97.87 127.47 43.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.578 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -66.59 119.49 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.87 -33.83 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 120' ' ' PRO . 2.7 m -46.81 130.81 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.87 128.06 39.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 4.8 mt -97.4 121.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.19 147.49 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -41.47 139.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -55.59 118.0 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 3.1 p -98.94 163.11 19.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.763 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -102.69 150.32 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -110.14 139.18 45.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -63.28 141.19 58.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.94 160.95 18.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.95 158.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.5 -30.13 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -37.15 85.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 12.0 m170 -80.06 -51.15 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 69' ' ' ALA . 1.2 mt-30 -51.77 123.11 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.548 ' CD ' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 49.31 53.52 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.587 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.8 t80 -69.62 -48.2 60.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.4 -9.75 50.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -25.43 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.82 100.88 9.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -14.58 20.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -108.86 20.95 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -76.53 -168.03 26.95 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.523 0.778 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.486 0.184 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.38 143.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.85 150.15 7.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' HD23 ' A' ' 27' ' ' LEU . 8.7 m -76.82 -31.05 56.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' THR . 7.8 mt -135.43 158.37 44.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 49.9 t-80 -57.98 163.96 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -74.77 -54.78 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -91.15 -52.12 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 1.9 t30 -57.33 -34.48 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 60.46 12.69 26.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -100.74 167.95 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.614 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -52.95 119.83 5.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mmm -80.24 -43.58 21.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.9 p -74.82 -53.87 8.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 129.64 41.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 42' ' ' MET . 1.3 t -121.85 135.02 24.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 148.7 35.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.0 126.8 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.12 -9.7 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.567 ' HB3' HG13 ' A' ' 38' ' ' VAL . 34.9 tpp -91.73 157.64 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -138.32 165.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.785 HG12 HG22 ' A' ' 99' ' ' VAL . 5.4 mt -119.22 151.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -139.33 125.31 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.146 HG21 ' CE1' ' A' ' 179' ' ' PHE . 2.6 mp -105.67 131.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CD2' HG12 ' A' ' 138' ' ' ILE . 20.3 m-85 -142.95 149.0 37.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.74 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 5.6 ttm -136.53 16.38 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 -130.65 10.38 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -43.85 110.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 23.7 p90 -83.63 0.45 46.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.801 ' CZ3' ' CE2' ' A' ' 189' ' ' TYR . 30.1 m0 -70.94 -61.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.84 -43.06 15.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' CYS . 75.5 t -52.8 -47.01 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HG3' HG11 ' A' ' 96' ' ' VAL . 82.3 tt0 -69.27 -32.05 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 ttt180 -61.68 -56.07 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.649 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -61.66 -32.19 72.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.796 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -64.63 -52.91 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.627 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.52 -21.21 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.081 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 4.1 mt-30 -79.61 0.44 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.062 HD21 HG21 ' A' ' 113' ' ' VAL . 7.1 mt -86.11 142.47 36.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 113.9 3.9 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.23 -13.63 9.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 60' ' ' TRP . 18.6 t -82.62 120.09 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.409 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.1 t80 -73.57 -56.07 5.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -153.47 164.12 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 13.1 p -133.13 160.82 36.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.832 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -147.54 151.25 36.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.01 120.34 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.8 177.47 20.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -120.31 151.82 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -169.61 177.02 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.66 -26.15 19.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.75 -166.76 42.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -115.8 -34.36 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 0.815 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 54.2 m -52.6 117.92 11.87 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.613 1.196 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 125.81 9.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 58.99 63.79 3.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.9 163.87 34.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.823 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 85' ' ' VAL . 71.5 p -121.26 158.62 27.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -51.12 -45.52 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -60.04 -52.44 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.4 mt-10 -55.22 -49.6 71.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 81' ' ' THR . 87.4 t -61.23 -41.15 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -36.24 62.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -49.64 58.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.16 16.44 25.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.77 15.9 22.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 2.5 p -111.8 -29.35 7.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.08 0.3 69.65 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 81.5 m-70 -79.86 150.94 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.54 169.79 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.51 115.69 21.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.81 166.69 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 69' ' ' ALA . 83.9 t -146.72 135.03 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -93.88 118.32 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.513 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.9 mp -108.74 126.97 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.785 HG22 HG12 ' A' ' 44' ' ' ILE . 14.7 t -108.54 118.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 41.6 p90 -141.4 161.7 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.95 133.51 20.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.02 0.36 9.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -90.33 -18.97 24.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.4 t -112.04 -61.65 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' PRO . 21.4 tt -109.65 166.58 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 p -122.87 154.04 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.912 ' O ' HD12 ' A' ' 111' ' ' LEU . 17.2 p90 -58.04 -35.41 71.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.644 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 tt0 -57.86 -47.67 82.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -58.18 -35.32 71.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.811 HD23 HD13 ' A' ' 62' ' ' LEU . 29.0 mt -70.19 -44.26 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -67.46 -45.04 77.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -36.52 71.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.062 HG21 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.53 -36.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.72 -52.92 60.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 2.2 m95 -73.2 -19.11 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -97.9 8.85 44.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.649 ' OD1' HD22 ' A' ' 58' ' ' LEU . 3.8 t-20 -111.6 -50.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.41 167.77 26.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.24 115.28 64.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.673 ' O ' HG22 ' A' ' 170' ' ' THR . 18.3 Cg_endo -75.05 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.71 48.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -100.0 -18.65 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.662 ' H ' HG21 ' A' ' 170' ' ' THR . . . 88.5 -151.72 22.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.3 54.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -179.95 150.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 134' ' ' TYR . 0.0 OUTLIER -131.2 126.95 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.47 -120.04 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.96 10.64 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.9 m-20 -110.38 127.81 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.24 153.17 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.646 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.59 162.82 10.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -84.37 -3.47 58.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 0.711 . . . . 0.0 110.373 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.23 -9.63 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 36.5 m-85 -97.58 37.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -76.86 -170.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.7 m -139.52 134.94 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.47 148.13 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.522 HG12 ' CD2' ' A' ' 47' ' ' PHE . 79.9 mt -113.8 133.39 59.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -129.58 89.83 45.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.06 176.02 10.48 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.6 mm? -111.06 -28.54 8.26 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -116.94 168.08 9.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.84 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.44 1.758 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.66 -34.91 78.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -73.22 -37.05 66.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -49.13 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.05 69.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.23 -41.91 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.05 -52.29 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -66.02 -31.94 73.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.98 -48.51 52.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.1 p -56.53 -43.91 80.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.3 tt -64.45 -45.63 86.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.48 -42.34 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -46.36 35.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.0 -45.74 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 161' ' ' LEU . 32.2 tt0 -51.97 -34.66 43.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -76.72 -33.91 58.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -55.7 17.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 165' ' ' ASP . 4.0 ptm -58.96 -33.69 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 157' ' ' GLN . 0.6 OUTLIER -63.13 -39.06 93.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.44 -19.09 64.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.51 15.64 10.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.8 t0 67.33 24.61 8.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 160' ' ' MET . 7.1 t70 -89.37 87.08 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -4.64 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.057 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 150.75 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -97.56 139.66 33.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.946 HG23 HG22 ' A' ' 171' ' ' THR . 10.8 mt -70.4 118.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 120' ' ' PRO . 10.0 t -94.45 -8.19 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.946 HG22 HG23 ' A' ' 169' ' ' ILE . 12.7 t -80.25 148.99 30.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.91 149.33 43.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp -101.04 133.42 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.87 161.91 40.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.89 158.81 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -78.4 124.29 27.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -102.13 178.64 1.16 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.459 1.1 . . . . 0.0 110.399 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.1 Cg_endo -75.02 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 1.146 ' CE1' HG21 ' A' ' 46' ' ' ILE . 9.2 m-85 -71.35 144.19 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 37.0 m-85 -110.97 119.91 40.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 7.3 m-85 -60.36 133.14 55.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -89.96 169.48 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.58 136.97 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.83 -37.69 52.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -25.61 6.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 97.8 m-70 -98.43 -47.21 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 188' ' ' GLN . 13.6 mt-30 -51.55 134.29 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.619 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 7.7 pt20 34.78 49.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.801 ' CE2' ' CZ3' ' A' ' 53' ' ' TRP . 41.5 t80 -60.82 -32.32 71.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -60.99 -18.8 59.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.65 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -71.12 -35.68 71.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -44.77 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.562 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -132.37 114.42 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -16.12 20.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 195' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 3.2 p90 -105.05 23.91 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -78.1 -167.92 31.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 111.002 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.39 25.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.61 159.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 158.11 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.5 m -75.92 -31.55 59.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 26' ' ' THR . 13.4 mt -134.51 175.26 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.2 t-80 -72.28 168.14 18.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -64.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 2.8 t -90.82 -48.29 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.534 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -57.92 -30.76 66.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 53.31 18.8 7.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' HIS . 1.3 m-70 -100.26 167.32 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.569 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -69.79 119.7 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -55.04 5.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.6 p -56.81 -53.29 59.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.86 126.85 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 44' ' ' ILE . 1.9 t -116.83 136.14 23.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 150.11 37.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.31 129.73 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.84 -19.9 34.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.75 167.05 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.99 165.16 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 99' ' ' VAL . 6.8 mt -113.44 155.29 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.378 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -150.04 125.84 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.736 HD12 ' HB1' ' A' ' 176' ' ' ALA . 11.9 mt -97.89 129.14 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -134.74 139.67 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -122.35 109.97 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.522 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 19.1 mtp -131.27 34.62 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 77.67 -132.07 11.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.9 t -40.53 112.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.6 p90 -83.78 -2.58 56.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.696 ' HB3' HD23 ' A' ' 190' ' ' LEU . 54.0 m0 -70.42 -60.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.93 -43.02 18.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 58' ' ' LEU . 57.2 t -52.86 -52.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' HG3' HG11 ' A' ' 96' ' ' VAL . 1.1 tt0 -60.16 -41.72 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.724 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -61.33 -37.11 82.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 HD21 ' A' ' 117' ' ' ASN . 0.1 OUTLIER -68.56 -34.51 75.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 62' ' ' LEU . 15.9 m-85 -81.11 -33.24 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.51 -37.0 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -77.83 -8.4 57.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.974 HD11 HG11 ' A' ' 113' ' ' VAL . 2.3 mt -68.95 134.91 89.72 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.97 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.55 -7.34 11.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 59' ' ' PHE . 24.4 t -86.68 119.81 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.24 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 5.7 t80 -72.33 -46.17 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -165.15 167.52 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.1 p -139.54 164.77 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.781 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -154.72 137.06 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -94.6 147.17 23.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.564 ' HA3' ' CD2' ' A' ' 179' ' ' PHE . . . -170.8 -171.51 36.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.468 ' HB2' ' CE2' ' A' ' 180' ' ' TYR . 20.7 m-85 -136.72 144.66 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 3.1 t -170.61 177.91 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 103.71 -16.48 51.4 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -90.96 -157.71 33.98 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -116.15 -40.95 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.468 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 96.0 m -49.61 119.37 9.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.34 16.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 47.33 63.94 9.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.075 . . . . 0.0 109.232 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.04 169.9 21.58 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 83' ' ' ARG . 10.9 m -116.44 152.9 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -45.43 52.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.24 -43.68 98.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -62.75 -47.29 84.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.9 t -63.33 -36.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.6 t -57.3 -38.24 73.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -66.58 -45.62 78.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.72 19.63 26.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -98.41 15.35 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -112.08 -35.03 5.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.49 69.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.1 m-70 -67.85 148.82 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.678 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.27 168.84 10.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.443 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 31.3 mt-10 -75.06 116.18 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.74 157.06 47.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 69' ' ' ALA . 91.1 t -140.45 141.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.3 mp -116.09 121.34 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 44' ' ' ILE . 3.8 t -108.78 114.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.496 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 32.5 p90 -133.84 165.88 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.35 136.11 20.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.08 0.98 8.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -27.66 19.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.3 t -106.11 -61.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 63' ' ' PRO . 16.5 tt -109.56 160.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 p -121.46 141.21 51.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 145' ' ' GLN . 48.0 t80 -44.99 -35.78 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.91 -42.23 93.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 113' ' ' VAL . 62.5 mt -66.0 -34.38 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.55 ' CD2' HD13 ' A' ' 138' ' ' ILE . 17.0 mt -76.12 -30.44 58.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -55.29 21.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 62' ' ' LEU . 3.5 p -54.5 -42.6 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.485 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 25.7 t80 -46.61 -56.43 6.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.805 ' CZ2' ' CD2' ' A' ' 156' ' ' PHE . 11.0 m0 -57.46 -28.64 63.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.7 tt0 -91.16 6.85 43.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 58' ' ' LEU . 28.6 m120 -113.07 -40.24 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -169.61 169.53 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.387 1.055 . . . . 0.0 109.574 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 121' ' ' ALA . 12.8 t70 -102.44 141.72 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.99 28.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -140.11 49.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -104.03 -1.52 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.77 -156.23 43.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.428 1.08 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.541 ' CE ' HG22 ' A' ' 132' ' ' THR . 6.9 ptp -90.16 63.63 5.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.73 145.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.625 1.203 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 30.3 tt0 -128.35 116.4 19.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.81 -123.2 23.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -85.72 8.9 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 9.0 m-20 -102.91 125.81 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -119.79 138.35 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.576 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.41 165.15 14.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.541 HG22 ' CE ' ' A' ' 124' ' ' MET . 81.4 p -85.61 -0.2 54.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.741 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 85' ' ' VAL . 5.7 mp0 -92.85 -7.33 46.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 57.6 m-85 -103.69 37.44 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 148.77 23.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 p -96.06 137.43 35.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -168.49 147.37 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.55 HD13 ' CD2' ' A' ' 111' ' ' LEU . 26.4 mt -110.58 124.8 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.709 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 54.0 m-85 -118.77 89.52 38.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.793 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 176' ' ' ALA . 1.9 mm? -118.69 -38.25 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 p -98.62 165.56 14.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.38 4.59 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.23 -30.33 70.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 78.5 mt-30 -73.76 -40.56 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -70.87 -36.41 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.13 -41.67 66.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.404 ' HB2' ' OH ' ' A' ' 107' ' ' TYR . . . -60.46 -54.37 46.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.55 -43.22 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 156' ' ' PHE . 1.4 p -70.89 -35.68 72.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 171' ' ' THR . 8.8 tt -57.28 -50.96 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.97 -35.5 76.93 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -26.0 53.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.805 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -68.77 -44.5 73.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 158' ' ' ALA . 1.0 OUTLIER -51.41 -34.28 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 157' ' ' GLN . . . -80.63 -41.13 24.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.91 -56.21 23.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 3.8 ptt? -62.87 -35.55 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.15 -44.83 92.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.22 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.5 9.46 23.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.48 28.06 3.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.41 99.87 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.45 18.52 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.433 ' O ' ' CE ' ' A' ' 160' ' ' MET . 24.1 mtt180 -52.77 163.64 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -100.42 131.46 46.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.808 ' CG2' HG22 ' A' ' 171' ' ' THR . 51.0 mt -67.89 94.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 18.2 p -71.6 -9.46 58.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 169' ' ' ILE . 0.9 OUTLIER -69.97 149.03 48.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.2 pt-20 -130.88 144.24 51.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 138' ' ' ILE . 24.9 mm -109.74 130.45 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -153.77 159.21 41.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.97 158.78 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -65.95 118.79 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 21.9 p -97.94 163.15 20.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.09 85.83 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -81.97 151.91 26.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 180' ' ' TYR . 0.3 OUTLIER -101.48 130.18 47.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -59.56 127.08 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -68.51 170.0 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.1 161.56 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.01 -37.37 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -34.03 69.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -83.52 -41.98 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.81 122.83 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 47.59 53.64 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 64.0 t80 -62.79 -53.21 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.067 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.724 HD12 ' CZ ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -47.67 -27.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.509 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -72.8 -40.4 65.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.574 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 192' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 189' ' ' TYR . 12.3 tttt -71.73 -34.7 69.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.84 97.66 32.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -15.44 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -95.29 -4.48 45.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -56.26 -162.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.553 ' O ' HD21 ' A' ' 190' ' ' LEU . 4.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.409 0.711 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.491 0.186 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 145.27 31.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.83 128.27 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 155.15 13.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -72.17 -34.3 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.2 mt -127.44 176.83 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.7 t-80 -72.36 166.44 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.638 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -74.04 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 191' ' ' HIS . 23.8 t -90.75 -51.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 58.66 13.04 16.04 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.055 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -101.0 -176.07 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 0.737 . . . . 0.0 109.62 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -52.73 119.84 5.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -54.75 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -79.74 -52.92 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -49.69 126.08 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.55 135.32 20.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.07 139.07 23.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.96 131.73 50.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.58 -1.08 56.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.481 ' HE1' ' OD2' ' A' ' 101' ' ' ASP . 2.2 mtt -112.42 161.22 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -134.85 165.92 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.956 HG12 HG22 ' A' ' 99' ' ' VAL . 4.2 mt -106.51 155.09 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.32 124.36 21.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.8 mt -109.42 124.83 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' HG12 ' A' ' 138' ' ' ILE . 31.4 m-85 -143.36 153.64 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -125.12 110.43 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -128.5 35.38 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.42 -137.31 16.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.803 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.8 p -45.1 109.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 5.3 p90 -82.23 -1.64 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 8.0 m0 -71.82 -54.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.0 -42.46 19.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.594 1.184 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 51' ' ' CYS . 90.6 t -51.08 -55.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.0 pt-20 -60.95 -40.15 92.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.56 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -64.33 -32.63 74.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.29 -34.19 25.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.0 m-30 -66.07 -56.22 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -62.64 -19.86 64.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -2.78 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 HG21 ' A' ' 113' ' ' VAL . 3.6 mt -98.42 144.57 28.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 138.69 -17.88 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 75.0 t -85.28 109.32 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -75.59 -50.41 15.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.61 159.36 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 98' ' ' ILE . 60.5 p -143.06 151.42 40.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -144.04 149.59 36.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.35 147.62 31.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.72 -175.34 43.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 180' ' ' TYR . 10.6 m-85 -125.39 154.75 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t -170.12 166.17 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.89 -19.75 43.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.556 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.42 -170.12 46.2 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -110.71 -32.2 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 12.0 m -57.47 119.58 33.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.57 16.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.417 1.746 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.2 m120 44.23 63.89 7.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.498 ' HD2' ' CD2' ' A' ' 180' ' ' TYR . 18.4 Cg_endo -74.98 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.403 HG21 ' NH2' ' A' ' 83' ' ' ARG . 3.2 m -114.18 169.97 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.54 -49.85 73.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' NH2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -58.28 -36.8 73.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.64 -49.58 65.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' THR . 73.6 t -61.57 -45.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -51.71 -33.14 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 108.262 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -48.77 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.83 9.08 53.36 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.5 25.62 5.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -115.24 -33.54 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.65 2.97 90.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.556 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 71.6 m-70 -86.27 146.85 26.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.69 154.61 28.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.497 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 52.1 mt-10 -70.16 114.53 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.75 168.86 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 69' ' ' ALA . 16.7 t -145.09 136.33 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.382 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 1.005 ' C ' HD13 ' A' ' 98' ' ' ILE . 5.2 ttm180 -95.62 115.08 26.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.005 HD13 ' C ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -109.82 141.07 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.956 HG22 HG12 ' A' ' 44' ' ' ILE . 5.2 t -123.74 114.03 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.711 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.6 p90 -136.97 165.64 25.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.481 ' OD2' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -101.34 136.81 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.65 18.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.591 1.838 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -13.16 38.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -112.22 -62.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.453 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 10.6 tt -112.42 160.29 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.408 ' N ' HG12 ' A' ' 105' ' ' ILE . 2.5 p -115.56 170.81 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 40.0 p90 -72.54 -45.98 56.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.629 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 5.9 pt-20 -55.46 -30.34 60.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.711 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 86.6 mt -73.68 -39.27 64.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -68.13 -37.78 81.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -66.38 -47.49 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.606 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -57.31 -35.57 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.567 ' CE1' ' CE1' ' A' ' 59' ' ' PHE . 18.3 m-30 -66.13 -57.77 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.744 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 9.8 m95 -63.84 -19.1 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -93.18 -9.34 39.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -110.89 -23.47 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' CE1' ' OE1' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -156.95 170.24 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.627 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.87 141.4 22.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -75.06 0.51 8.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.84 49.89 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.458 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 18.3 tp60 -102.88 15.19 30.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.14 -157.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.96 66.15 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.57 158.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 49' ' ' MET . 2.1 tt0 -143.62 119.21 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.16 -123.54 21.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.59 13.46 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 32.9 m-20 -109.23 124.57 51.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -119.06 144.22 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.168 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 170.09 17.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 132' ' ' THR . 18.8 m -85.76 0.2 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.413 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -93.16 -10.56 35.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 47.9 m-85 -107.75 38.5 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -89.28 166.98 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.9 m -106.58 129.12 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.41 157.65 32.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.744 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 69.4 mt -130.54 133.39 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.1 87.78 50.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.46 16.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.96 -32.42 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.0 p -98.89 160.6 27.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.32 10.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.03 -35.11 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.14 -40.85 90.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.401 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.5 OUTLIER -61.7 -51.88 66.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.3 -36.73 71.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.83 -41.2 62.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.68 40.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 151' ' ' ALA . 1.8 ppt_? -64.79 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.24 -48.0 83.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 156' ' ' PHE . 7.2 p -58.01 -42.23 84.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.4 tt -61.63 -48.68 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.96 -37.29 86.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -74.06 -35.55 64.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 152' ' ' SER . 87.7 t80 -71.88 -37.02 70.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.11 -39.45 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.78 51.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.95 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.402 ' CG ' ' CE2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.83 -37.95 83.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.09 -15.84 63.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.94 -3.4 21.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 73.31 45.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -118.47 94.82 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 7.74 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 160.54 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -94.77 131.98 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 64.4 mt -76.95 111.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 3.8 t -81.81 -28.78 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.8 m -40.78 124.09 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.1 122.3 35.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 12.9 mt -97.27 135.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -158.57 155.35 28.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 176' ' ' ALA . 34.7 t-20 -49.55 143.05 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 175' ' ' ASN . . . -58.89 139.13 56.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 165.23 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 23.9 p90 -76.57 149.66 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -101.97 129.1 48.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.477 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 4.0 m-85 -61.9 141.31 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.75 168.19 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.22 147.33 7.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.73 -32.95 67.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -22.54 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -93.8 -38.19 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.611 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.49 121.03 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.612 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 9.2 mp0 51.87 45.7 27.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 38.8 t80 -64.88 -52.54 55.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -52.98 -20.91 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.682 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.29 -45.43 39.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -65.75 -39.41 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.16 105.0 53.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -23.18 14.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -109.52 25.68 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.76 -169.75 41.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.675 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.483 0.182 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.76 35.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.43 145.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.91 152.99 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.375 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 -45.08 57.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.84 157.75 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.2 t-80 -60.35 170.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.621 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.763 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -72.32 -65.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.68 -52.65 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 30.8 m120 -56.94 -25.89 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.18 24.87 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -100.52 170.48 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.586 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -39.6 121.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 tpt -78.31 -50.69 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -94.83 -52.7 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -52.99 121.3 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 39' ' ' PRO . 53.1 t -101.28 136.28 19.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.02 143.45 29.02 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.06 125.91 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.93 6.7 45.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.7 mtt -122.15 165.31 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -143.14 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.925 HG12 HG22 ' A' ' 99' ' ' VAL . 8.1 mt -107.83 146.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -129.07 124.22 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.98 HD12 HD21 ' A' ' 141' ' ' LEU . 3.2 mt -108.68 127.2 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CD2' HG12 ' A' ' 138' ' ' ILE . 35.3 m-85 -146.26 153.66 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.98 109.79 12.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.498 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -127.3 50.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.32 -136.17 32.05 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.8 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.6 t -40.88 109.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 31.1 p90 -81.31 -20.44 40.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.785 ' HB3' HD23 ' A' ' 190' ' ' LEU . 13.6 m0 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.02 -48.51 8.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.896 HG13 ' CE1' ' A' ' 59' ' ' PHE . 81.3 t -51.91 -57.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' CE3' ' A' ' 60' ' ' TRP . 7.6 pt-20 -54.42 -37.65 65.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.696 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 7.6 ttt180 -61.55 -57.37 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -34.58 78.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.896 ' CE1' HG13 ' A' ' 55' ' ' VAL . 3.5 m-85 -66.5 -45.96 77.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.638 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -76.29 -29.34 57.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 108.049 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.3 mt-30 -77.09 0.1 22.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -81.45 139.55 48.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.91 107.81 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.69 -13.79 3.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 98' ' ' ILE . 46.3 t -90.08 120.8 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -80.16 -45.63 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -145.48 159.43 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.804 HG23 HG13 ' A' ' 98' ' ' ILE . 88.7 m -147.43 145.63 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.22 160.16 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -117.34 149.6 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 97' ' ' ARG . . . -172.2 -163.64 26.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 179' ' ' PHE . 83.7 m-85 -134.83 152.83 52.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.458 0.74 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.52 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.8 t -169.96 170.16 7.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.44 45.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.91 -176.64 47.94 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -106.84 -31.1 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 6.9 m -56.04 116.19 11.75 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.29 15.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' OD1' ' CE2' ' A' ' 180' ' ' TYR . 5.9 m120 52.24 63.01 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.99 169.87 21.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 p -124.98 158.69 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -55.16 -44.11 74.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -62.23 -50.03 73.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 27.8 mt-10 -59.84 -48.81 80.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 53.7 t -59.37 -42.53 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.66 -43.93 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.76 71.64 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.25 21.97 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.44 20.81 13.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 0.784 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 48.4 p -117.25 -35.08 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.97 8.73 87.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 44.9 m-70 -86.08 148.39 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 153.74 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.5 tp10 -70.52 114.84 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.02 163.8 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -146.58 129.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 179' ' ' PHE . 5.9 ptp180 -90.37 115.61 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.804 HG13 HG23 ' A' ' 68' ' ' THR . 2.6 mp -104.16 130.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.925 HG22 HG12 ' A' ' 44' ' ' ILE . 15.6 t -105.74 114.03 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.667 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -139.57 165.67 26.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -103.76 137.39 19.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 -11.09 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.34 -52.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.2 tp -115.14 147.62 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.458 ' N ' HG13 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -111.3 147.39 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.604 ' CE1' ' OH ' ' A' ' 100' ' ' TYR . 9.8 m-85 -48.38 -48.64 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.47 -44.41 45.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -61.85 -49.53 75.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.667 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.7 mt -59.84 -35.67 75.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.69 -49.07 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.96 -46.14 82.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.679 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -55.62 -47.08 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.746 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 17.0 m-30 -66.9 -55.07 16.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 46.6 m95 -48.65 -24.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.06 -30.23 14.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' PHE . 10.0 m-80 -107.64 34.35 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -170.44 158.17 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.1 OUTLIER -112.51 133.52 21.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.04 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.691 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -139.32 49.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -92.19 -18.03 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.6 -166.14 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.404 1.065 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.38 62.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 179.45 163.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.06 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 1.6 tt0 -149.64 124.62 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.54 -124.19 21.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -91.58 11.61 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.56 118.1 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -113.16 152.94 29.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.704 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.74 166.03 11.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.6 m -82.12 -0.02 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.471 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -91.82 -17.45 25.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.62 37.53 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -70.72 175.47 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.238 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -130.95 113.6 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.55 168.84 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 47' ' ' PHE . 68.7 mt -124.69 128.17 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -116.09 84.41 13.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.55 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.4 Cg_endo -74.96 169.15 23.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 46' ' ' ILE . 4.4 mm? -120.14 -38.17 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 67.3 p -96.19 161.55 26.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.461 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 18.3 Cg_endo -75.08 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -78.26 -29.82 48.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.564 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 54.6 tt0 -65.49 -59.8 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -52.87 -44.2 66.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.86 76.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.52 62.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.8 76.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -64.97 -45.48 85.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.58 77.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 p -57.23 -45.26 84.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 171' ' ' THR . 6.7 tt -62.57 -48.02 81.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -55.97 -38.22 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.62 32.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -58.55 -30.6 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.722 ' HA ' HD11 ' A' ' 169' ' ' ILE . 54.0 tt0 -52.06 -32.61 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.34 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.66 -34.07 61.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.82 74.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 161' ' ' LEU . 2.7 mm? -56.84 -42.86 80.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.54 -19.54 49.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.38 17.35 14.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.3 t0 57.91 21.56 7.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.19 102.11 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.81 8.16 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -56.85 153.68 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -88.7 123.17 32.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.927 HG23 HG22 ' A' ' 171' ' ' THR . 54.8 mt -60.88 125.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 121' ' ' ALA . 20.8 p -95.97 -33.57 12.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.418 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.927 HG22 HG23 ' A' ' 169' ' ' ILE . 1.7 t -48.09 125.05 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.32 149.7 50.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.37 117.32 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -128.36 156.88 42.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.64 153.83 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -72.24 120.16 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.52 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -89.53 167.85 16.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.03 74.52 4.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 97' ' ' ARG . 7.5 p90 -61.71 150.32 37.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.478 ' CE2' ' OD1' ' A' ' 79' ' ' ASN . 32.4 m-85 -115.35 135.8 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.576 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 2.1 m-85 -59.69 131.99 52.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.85 169.81 14.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 155.7 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.18 -38.87 91.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.48 -37.02 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -82.28 -48.78 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.403 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 5.2 mt-30 -52.13 125.26 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.763 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 5.1 mp0 50.82 51.39 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 51.3 t80 -66.74 -50.77 61.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 53' ' ' TRP . 1.2 mm? -53.82 -20.93 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.459 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.58 -44.43 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.653 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.89 64.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.55 99.22 8.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.17 16.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -96.98 -3.25 41.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.35 -167.64 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.52 0.2 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.45 39.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.33 133.73 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.74 150.88 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 m -75.39 -36.66 60.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -126.83 174.15 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.5 t-80 -78.65 167.14 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.94 -65.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -89.83 -48.65 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -57.11 -34.13 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 60.99 9.88 16.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' HIS . 58.3 m170 -101.59 170.21 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -68.15 119.01 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ptm -80.9 -29.77 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.7 p -70.12 -43.27 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.95 119.84 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 44' ' ' ILE . 2.2 t -110.53 132.07 21.74 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 148.57 35.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.77 136.31 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.35 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.03 167.82 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 167.85 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.907 HG12 HG22 ' A' ' 99' ' ' VAL . 5.0 mt -116.56 151.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -134.92 124.65 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' TYR . 55.3 mt -113.66 123.49 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 1.046 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 1.7 p90 -152.08 154.95 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.72 131.08 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -142.8 16.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.84 -146.32 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.484 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 p -40.76 109.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.732 ' HB2' HG11 ' A' ' 96' ' ' VAL . 33.3 p90 -81.45 3.79 23.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.655 ' HB3' HD23 ' A' ' 190' ' ' LEU . 50.3 m0 -73.18 -61.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.11 -31.31 53.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.0 t -67.1 -58.21 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.0 tt0 -55.96 -56.28 22.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.623 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.28 -23.98 17.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -82.84 -32.78 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.7 m-85 -72.18 -57.51 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.623 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -59.77 -19.05 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 107.976 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.29 -23.16 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 HG11 ' A' ' 113' ' ' VAL . 2.9 mt -74.98 141.32 74.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 105.82 2.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.5 3.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 98' ' ' ILE . 87.1 t -87.89 111.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.2 t80 -69.7 -55.0 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -156.86 163.26 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 16.1 p -142.4 170.05 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -149.95 160.48 43.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.812 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -115.39 147.74 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -176.81 44.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -132.98 146.49 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 t -169.61 179.56 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 -26.33 24.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.35 -173.05 49.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -102.03 -30.94 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.544 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 2.4 m -49.7 116.12 5.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.581 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.8 OUTLIER 59.84 63.0 3.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.556 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 170.07 21.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -122.69 149.91 43.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -37.58 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -58.83 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -67.08 -43.25 83.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 4.8 t -52.22 -40.66 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.17 -37.34 64.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 108.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -62.48 -44.76 95.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.57 29.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -97.83 12.92 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.477 ' HB ' ' CB ' ' A' ' 77' ' ' THR . 7.8 p -113.22 -19.76 11.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.86 1.47 89.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.0 m-70 -81.52 143.88 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.54 160.66 20.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.3 tm-20 -70.01 119.08 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.35 159.0 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 52' ' ' PHE . 2.9 m -146.76 129.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.759 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -92.44 114.95 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.046 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp -103.78 130.63 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.907 HG22 HG12 ' A' ' 44' ' ' ILE . 19.7 t -108.88 115.27 49.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.487 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 45.6 p90 -138.87 164.75 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.062 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.12 137.4 20.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -10.74 21.39 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -24.4 22.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -99.9 -48.56 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 100' ' ' TYR . 8.2 tt -131.97 140.84 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 p -95.31 145.13 25.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.5 p90 -53.46 -28.67 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.611 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -62.64 -46.01 90.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -57.57 -33.26 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 100' ' ' TYR . 68.9 mt -71.51 -42.02 68.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 63.4 mt -66.95 -46.91 73.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.2 mm-40 -60.29 -45.35 93.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.608 HG11 HD11 ' A' ' 62' ' ' LEU . 1.3 t -58.29 -44.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 8.1 t80 -56.84 -43.03 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.671 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 22.1 m95 -80.22 -19.43 46.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -90.09 -10.3 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.9 m120 -118.54 -2.71 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.94 170.44 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.08 154.11 40.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.439 ' HB2' HG23 ' A' ' 169' ' ' ILE . 18.5 Cg_endo -74.95 0.02 9.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.6 49.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 125' ' ' ARG . 3.4 tt0 -74.77 -19.18 60.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.578 ' H ' HG21 ' A' ' 170' ' ' THR . . . 68.88 177.12 13.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 ptm -79.73 62.78 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 179.88 152.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -145.9 120.58 9.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.68 -119.0 6.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.587 1.179 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.63 17.4 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 7.3 m-20 -113.03 121.05 43.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -119.93 138.95 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.57 177.47 23.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.9 p -86.76 1.0 53.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.395 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.472 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -91.23 -2.53 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.238 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 90.2 m-85 -124.24 58.05 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.421 ' CZ ' ' OE2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -113.07 -166.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.3 m -121.5 133.21 55.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -164.18 153.16 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.671 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 65.2 mt -131.76 139.8 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . 56.4 m-85 -135.26 88.57 25.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.12 162.76 36.31 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.441 1.759 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.2 -17.94 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.5 p -115.42 166.79 11.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.25 -36.21 82.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 41.8 tt0 -75.31 -28.69 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.87 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.84 -44.15 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -56.74 -46.62 81.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.24 49.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -60.16 -43.88 95.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.86 -48.31 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.0 p -65.39 -29.62 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.582 HD23 HD13 ' A' ' 169' ' ' ILE . 5.5 tt -67.68 -52.02 42.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.23 -34.23 77.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -74.05 -29.8 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.484 ' HA ' HD11 ' A' ' 169' ' ' ILE . 11.1 tt0 -51.91 -36.83 50.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.0 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.03 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.13 86.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.67 -43.61 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.6 -15.94 59.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.69 19.35 11.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.32 24.02 14.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.58 97.72 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.07 14.44 10.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.91 163.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -98.53 129.58 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.582 HD13 HD23 ' A' ' 153' ' ' LEU . 16.1 mt -63.0 118.8 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.578 HG21 ' H ' ' A' ' 123' ' ' GLY . 13.9 t -89.88 1.87 55.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 169' ' ' ILE . 3.1 m -70.71 122.42 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' CZ ' ' A' ' 135' ' ' ARG . 9.3 pt-20 -113.28 115.43 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 97.7 mt -94.8 128.77 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.22 153.31 27.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -46.59 158.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -75.98 127.05 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -101.56 170.24 6.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 72.81 4.56 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 2.8 p90 -64.57 150.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.4 127.9 45.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -66.47 139.5 57.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -84.21 163.7 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.2 162.24 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.88 -30.26 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -28.16 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -95.34 -49.35 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.812 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 12.6 mt-30 -51.05 131.39 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.406 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 4.4 mp0 54.81 46.33 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.578 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 28.6 t80 -63.19 -54.09 42.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.4 -27.03 14.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.604 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -35.94 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -121.14 94.17 48.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.42 21.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -100.14 6.66 44.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -71.21 -160.53 3.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 197' ' ' TYR . 5.2 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.545 0.212 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.14 42.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 181' ' ' TYR . 15.7 t -120.44 146.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 151.56 22.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 27' ' ' LEU . 7.7 m -81.86 -31.68 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 26' ' ' THR . 6.0 mt -139.69 159.83 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.4 t-80 -58.55 168.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.551 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.843 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' HD2' ' A' ' 191' ' ' HIS . 15.7 t -90.79 -47.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.57 -31.92 68.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 52.15 21.98 9.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -97.35 169.29 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.625 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.1 p -52.79 119.43 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.3 mmm -80.87 -55.49 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -69.0 -54.59 14.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.65 127.29 30.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 44' ' ' ILE . 2.1 t -104.0 136.92 19.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.98 145.72 31.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -67.8 140.97 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.61 -10.3 75.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.587 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -107.35 166.88 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 110.977 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -145.65 164.65 31.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.075 . . . . 0.0 110.288 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.966 HG12 HG22 ' A' ' 99' ' ' VAL . 27.5 mt -109.4 150.71 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -136.71 125.1 23.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.662 HD12 HD21 ' A' ' 141' ' ' LEU . 2.9 mt -102.58 129.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 138' ' ' ILE . 23.6 m-85 -145.31 140.04 27.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.59 109.81 21.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.577 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.41 5.17 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 89.74 -132.32 11.2 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 t -40.34 109.86 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 96' ' ' VAL . 55.2 p90 -83.89 -1.82 55.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 38.1 m0 -71.46 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.032 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -77.45 -38.97 27.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 51' ' ' CYS . 70.1 t -58.36 -56.78 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 43.1 tt0 -57.84 -34.35 69.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -59.53 -57.02 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -60.82 -31.73 71.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.887 ' CD2' HD11 ' A' ' 98' ' ' ILE . 8.6 m-30 -72.3 -54.17 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.717 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.72 -37.4 86.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 37.4 mt-30 -77.5 0.33 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -80.58 138.74 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.829 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.04 111.02 3.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.78 -5.85 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.54 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 1.5 t80 -71.18 -42.91 68.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 99' ' ' VAL . 67.1 m -168.28 162.02 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.545 HG22 ' HA ' ' A' ' 98' ' ' ILE . 54.1 p -139.2 169.2 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 97' ' ' ARG . . . -146.17 157.68 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.62 144.99 46.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -176.84 -165.03 31.66 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.917 ' CD1' HG21 ' A' ' 85' ' ' VAL . 62.8 m-85 -129.25 153.07 48.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.29 167.42 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.7 -29.08 13.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.18 -176.03 47.97 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -104.68 -38.51 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 31.4 m -51.02 118.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.75 37.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.4 m120 49.77 63.79 9.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -75.04 150.65 38.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 85' ' ' VAL . 89.7 m -124.17 163.92 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.12 -50.35 71.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -61.29 -30.54 70.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.827 ' HB3' HG21 ' A' ' 90' ' ' THR . 0.8 OUTLIER -69.14 -49.76 54.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.917 HG21 ' CD1' ' A' ' 72' ' ' TYR . 47.9 t -61.01 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -49.89 -40.24 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -70.14 -34.41 73.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.058 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.52 20.09 72.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.1 23.69 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.827 HG21 ' HB3' ' A' ' 84' ' ' GLU . 60.3 p -117.05 -35.2 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.28 -1.75 82.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 58.3 m-70 -77.85 150.3 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 133' ' ' GLN . . . -114.51 168.51 9.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 115.36 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.21 155.18 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.6 m -144.41 151.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HG2' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.887 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.5 mp -118.03 123.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.966 HG22 HG12 ' A' ' 44' ' ' ILE . 3.7 t -105.82 115.75 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.397 1.06 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CD2' HD11 ' A' ' 110' ' ' LEU . 15.5 p90 -134.56 163.42 29.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.188 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 105' ' ' ILE . 2.5 t0 -106.12 138.11 19.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -7.78 19.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 t -90.16 -25.58 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.18 -61.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 15.9 tt -118.42 162.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -115.74 159.86 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 3.7 p90 -60.43 -39.06 86.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -60.89 -37.16 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.84 -46.13 88.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.636 HD11 ' CD2' ' A' ' 100' ' ' TYR . 33.0 mt -56.53 -45.38 81.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 138' ' ' ILE . 25.8 mt -57.01 -42.62 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.64 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.021 HG21 HD11 ' A' ' 62' ' ' LEU . 6.9 t -54.04 -52.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 m-30 -68.28 -45.15 73.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -41.62 -29.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' PHE . 21.1 mt-10 -104.69 -43.15 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.552 ' O ' ' HE2' ' A' ' 49' ' ' MET . 0.4 OUTLIER -91.74 36.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -170.16 162.28 8.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.9 t70 -132.01 125.79 20.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.164 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.783 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.29 50.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.75 -20.08 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.786 ' H ' HG21 ' A' ' 170' ' ' THR . . . 75.49 -150.15 39.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.391 1.057 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.4 ptm -84.99 45.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -153.4 150.3 28.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 134' ' ' TYR . 65.5 tp60 -128.64 118.65 23.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.09 -114.69 7.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.397 1.061 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.51 19.85 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.21 160.31 19.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -118.55 152.22 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.39 141.69 3.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.3 p -72.74 -13.03 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 93' ' ' ALA . 5.9 pm0 -93.57 -5.11 49.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 4.0 m-30 -97.94 37.62 1.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -88.05 -174.23 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.2 m -120.07 125.65 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.83 149.74 20.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.818 HG23 ' CE1' ' A' ' 47' ' ' PHE . 56.4 mt -118.28 138.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.38 86.88 44.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.447 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.4 Cg_endo -75.09 173.01 15.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.662 HD21 HD12 ' A' ' 46' ' ' ILE . 4.6 mm? -112.02 -22.45 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -112.95 163.78 17.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.51 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.8 -32.07 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 59.5 tt0 -74.99 -34.13 61.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -47.35 63.34 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -55.86 -42.53 75.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.07 65.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.21 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.74 -35.58 81.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.97 -43.54 98.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.7 p -61.47 -34.51 75.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.0 tt -57.61 -51.0 71.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.57 -33.99 77.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -25.75 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -73.98 -43.12 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 111.05 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.757 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -54.13 -35.57 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.21 -45.62 17.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.15 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.48 91.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 157' ' ' GLN . 6.2 mp -61.43 -37.96 85.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.49 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.6 22.84 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.87 31.83 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.12 100.34 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.58 13.87 12.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -53.68 144.24 18.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -76.8 130.8 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.878 ' CG2' HG22 ' A' ' 171' ' ' THR . 9.2 mm -65.88 125.39 22.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.786 HG21 ' H ' ' A' ' 123' ' ' GLY . 10.8 t -103.67 -23.78 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.878 HG22 ' CG2' ' A' ' 169' ' ' ILE . 8.9 t -50.05 132.63 23.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 139.95 51.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.22 138.65 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.38 145.17 22.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.12 150.4 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.97 128.95 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -104.8 171.3 5.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.11 5.37 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.412 1.743 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 37.2 p90 -60.9 149.97 34.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -108.24 129.07 55.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.442 ' CB ' HG22 ' A' ' 24' ' ' VAL . 27.3 m-85 -61.55 141.31 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.461 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -89.91 170.21 10.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 187' ' ' GLN . 4.2 tt0 -52.04 150.63 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -44.21 76.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -27.38 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -92.99 -45.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 2.7 mt-30 -50.01 125.53 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.701 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 7.0 mp0 58.27 48.56 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 81.1 t80 -62.04 -54.74 37.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -48.97 -24.84 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.843 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.43 -37.89 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 192' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' TYR . 1.8 tppp? -77.78 -32.12 52.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.524 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -124.0 102.61 34.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.36 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -106.09 24.59 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -85.19 -170.06 46.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.598 ' O ' HD21 ' A' ' 190' ' ' LEU . 2.5 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.56 0.219 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.93 40.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 181' ' ' TYR . 74.9 t -104.83 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 161.38 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.489 HG22 ' HG ' ' A' ' 27' ' ' LEU . 18.4 m -75.48 -43.79 47.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 26' ' ' THR . 12.7 mt -134.84 152.59 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.5 t-80 -59.7 169.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -74.45 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 17.0 t -91.41 -53.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.56 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 14.6 m120 -56.96 -25.87 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 49.18 20.68 2.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 24.2 m170 -100.74 158.03 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m -53.95 124.44 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.919 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 5.1 mmm -76.68 -46.33 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -80.09 -53.67 6.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.1 133.22 55.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 42' ' ' MET . 30.7 t -129.65 131.12 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 148.57 35.35 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.428 1.752 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 129.78 42.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.87 -11.54 52.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.412 ' HB3' HG13 ' A' ' 38' ' ' VAL . 24.7 tpp -95.88 156.2 16.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.07 164.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.923 HG12 HG22 ' A' ' 99' ' ' VAL . 8.2 mt -112.93 149.31 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.366 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -132.7 125.0 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.875 HD11 ' CE1' ' A' ' 179' ' ' PHE . 4.3 mt -99.35 125.03 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -140.03 144.67 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -118.19 118.59 32.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.598 ' HB2' HG11 ' A' ' 55' ' ' VAL . 12.6 mtp -137.36 28.56 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.52 -135.51 14.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -42.03 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p90 -80.85 -1.34 42.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.63 ' CZ2' ' CE2' ' A' ' 189' ' ' TYR . 51.4 m0 -70.6 -60.32 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.029 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.54 -42.86 20.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.567 1.167 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 49' ' ' MET . 75.9 t -54.32 -53.35 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 9.3 tt0 -62.36 -33.95 75.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.584 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -61.27 -56.56 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -58.38 -32.55 68.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.539 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.1 m-85 -67.54 -55.57 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.584 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.24 -17.32 63.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 26.1 mt-30 -83.9 -7.03 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.8 mt -85.55 137.74 36.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 109.79 2.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.45 -8.98 5.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 72.4 t -91.71 115.54 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.473 ' C ' ' CG2' ' A' ' 68' ' ' THR . 4.6 m -173.87 157.72 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 2.0 p -152.11 155.09 37.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.919 ' HB2' ' CE ' ' A' ' 35' ' ' MET . . . -146.23 145.63 30.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -78.8 146.55 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 181' ' ' TYR . . . -157.73 179.89 33.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CE1' ' HD2' ' A' ' 80' ' ' PRO . 19.8 p90 -122.71 153.56 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -170.19 164.55 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.83 -16.79 57.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -94.62 -177.71 38.34 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -114.83 -29.53 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 89.5 m -49.84 124.07 15.87 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.96 126.64 10.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.444 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.9 m120 39.83 62.87 5.28 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.09 169.96 21.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 m -104.41 150.46 24.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.69 -45.77 70.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -35.88 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 10.4 mt-10 -69.4 -50.33 46.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.232 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -46.0 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 t -50.04 -37.88 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -69.84 -47.18 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.87 24.79 12.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.5 12.33 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 40.2 p -111.93 -34.92 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.14 -0.51 69.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 81.3 m-70 -78.67 150.27 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 0.787 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -122.38 168.16 12.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -72.59 134.7 45.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.53 150.27 23.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 70' ' ' ALA . 16.1 m -138.07 131.72 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -88.52 122.51 32.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.539 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.4 mp -109.02 127.04 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 HG12 ' A' ' 44' ' ' ILE . 3.6 t -104.82 113.95 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 110' ' ' LEU . 22.5 p90 -134.13 165.52 24.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.45 138.84 20.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.61 21.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -90.13 -10.42 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.547 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.3 t -114.0 -64.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 16.7 tt -113.96 163.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -112.72 163.59 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 145' ' ' GLN . 20.8 t80 -66.96 -45.27 78.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -39.88 50.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -59.02 -38.81 80.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 100' ' ' TYR . 77.5 mt -72.67 -52.69 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.904 HD22 ' OG ' ' A' ' 152' ' ' SER . 0.1 OUTLIER -58.47 -33.66 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.596 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.8 tt0 -63.81 -56.1 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -61.07 -32.14 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.503 ' HB3' ' O ' ' A' ' 111' ' ' LEU . 8.7 t80 -48.2 -53.66 16.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 15.0 p-90 -95.52 -30.67 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 33.7 tt0 -72.5 -4.47 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' HG22 ' A' ' 113' ' ' VAL . 0.7 OUTLIER -132.63 10.75 4.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' TRP . 4.9 t-160 -170.03 153.12 4.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 122' ' ' GLN . 1.9 p-10 -96.65 117.17 66.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 170' ' ' THR . 18.2 Cg_endo -75.01 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.0 49.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.428 ' CB ' ' OD1' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -100.43 -12.55 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.07 -166.92 54.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.4 mtt -71.32 62.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -176.9 155.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -136.62 130.1 31.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.64 -117.06 6.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.53 11.5 34.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 14.2 m-20 -108.82 140.4 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -118.56 153.37 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.663 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.63 161.67 9.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.2 p -82.07 -1.9 50.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 4.4 pt20 -92.74 -23.55 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 29.6 m-85 -89.58 35.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 147.68 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -84.66 133.96 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.76 147.27 24.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.454 HG22 ' HD3' ' A' ' 140' ' ' PRO . 13.6 mt -113.8 125.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 49.4 m-85 -119.98 87.23 38.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 175.61 11.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.59 1.837 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -120.48 -48.53 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.51 HG23 ' OE1' ' A' ' 145' ' ' GLN . 2.0 p -90.6 167.99 15.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -29.34 8.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.4 -30.33 68.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.544 ' HG2' ' CD2' ' A' ' 107' ' ' TYR . 87.9 mt-30 -71.85 -48.14 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 142' ' ' THR . 1.7 m-20 -53.16 -48.59 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.0 74.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.5 -38.88 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB1' HG12 ' A' ' 173' ' ' ILE . . . -57.9 -51.06 71.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -64.4 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.904 ' OG ' HD22 ' A' ' 111' ' ' LEU . 31.5 m -56.67 -46.88 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 169' ' ' ILE . 5.3 tt -61.63 -50.94 70.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.27 -39.92 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -47.91 27.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 160' ' ' MET . 32.2 t80 -61.91 -33.14 73.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.9 tt0 -52.59 -37.74 58.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.74 -43.53 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.81 77.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.556 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 8.7 mtp -56.33 -49.32 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.16 -36.63 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.28 -21.74 66.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -99.18 26.62 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.5 32.45 19.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -117.2 97.04 5.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.96 11.29 18.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.71 160.93 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.99 138.89 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.647 HD13 ' HG ' ' A' ' 153' ' ' LEU . 4.3 mt -66.29 113.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -74.35 -24.0 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.63 123.7 12.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -117.13 118.3 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.652 HG12 ' HB1' ' A' ' 149' ' ' ALA . 5.2 mt -92.83 120.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.47 39.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -47.96 155.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -83.18 130.1 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.521 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.3 OUTLIER -99.94 -176.5 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.97 56.48 4.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.037 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.875 ' CE1' HD11 ' A' ' 46' ' ' ILE . 23.2 p90 -61.03 150.48 33.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -124.04 137.55 54.57 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -76.73 152.34 35.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.462 ' O ' ' CE2' ' A' ' 181' ' ' TYR . . . -79.16 170.1 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 152.45 19.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ASP . . . . . 0.462 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 0.8 OUTLIER -53.36 -29.92 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -45.86 68.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.31 -32.44 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.633 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 83.8 mm-40 -49.76 135.7 18.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.4 mp0 42.24 51.52 4.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.224 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.63 ' CE2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 t80 -64.72 -49.01 72.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -23.11 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -77.16 -49.86 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.51 57.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.12 96.45 12.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.17 21.4 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -109.6 13.27 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -61.62 -150.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 197' ' ' TYR . 3.0 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.568 0.223 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.91 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.13 145.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 150.38 40.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.4 m -75.78 -39.03 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -128.03 -175.22 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -86.77 168.59 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.5 -65.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.6 t -90.72 -47.47 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.28 -33.54 69.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 58.23 14.42 18.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' HIS . 57.1 m170 -100.84 168.4 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.21 119.44 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ptp -80.4 -15.45 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -84.96 -50.4 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.73 134.46 48.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 t -114.78 128.23 26.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.64 31.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.759 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.06 125.62 24.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.33 -13.73 56.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.5 tpp -86.34 152.78 22.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.737 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.28 162.54 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' NE ' ' A' ' 97' ' ' ARG . 5.8 mt -112.43 154.58 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -145.08 125.12 13.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.617 HG22 ' HD2' ' A' ' 139' ' ' TYR . 55.5 mt -110.86 130.47 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 52.0 m-85 -147.54 147.81 30.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -111.9 124.89 53.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -141.86 17.73 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 91.21 -140.48 15.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 55' ' ' VAL . 29.8 p -40.81 111.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 96' ' ' VAL . 39.3 p90 -76.96 -5.75 49.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.802 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 21.5 m0 -71.86 -57.42 4.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -76.3 -34.75 44.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.584 HG12 ' CE2' ' A' ' 59' ' ' PHE . 54.8 t -66.14 -49.88 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 31.3 tt0 -71.94 -20.71 61.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.614 ' HD2' HD12 ' A' ' 190' ' ' LEU . 3.2 ttt-85 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.717 HD22 ' OD1' ' A' ' 117' ' ' ASN . 1.2 pp -73.82 -39.04 64.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CE2' HG12 ' A' ' 55' ' ' VAL . 10.4 m-30 -54.79 -52.23 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -58.75 -53.47 58.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 36.8 mt-30 -69.67 -2.68 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 105' ' ' ILE . 2.1 tt -67.14 134.28 93.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 107.32 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 121.8 -3.07 10.92 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.6 t -97.51 116.33 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -73.69 -49.77 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 m -151.27 166.77 29.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -139.98 167.24 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.473 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.43 154.39 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.953 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -116.31 142.63 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -166.99 -168.91 29.88 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 23.2 m-85 -141.16 149.49 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 4.6 t -169.86 176.33 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.14 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.52 -167.08 17.32 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -113.4 -46.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 27.4 m -49.84 121.29 12.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 142.48 27.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 16.3 m120 46.36 64.36 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.06 169.94 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 22.0 m -124.71 157.69 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.63 -49.84 61.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -57.21 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.84 -46.02 67.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' THR . 83.9 t -66.0 -37.22 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -39.53 63.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 108.372 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 m -67.82 -38.5 83.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 22.8 42.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 9.5 42.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -100.9 -27.73 13.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.425 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 94.53 -11.66 69.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 62.4 m-70 -79.16 147.96 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.37 171.52 7.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -76.34 114.75 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.252 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.61 49.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.953 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.7 m -142.43 145.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HE ' HD11 ' A' ' 46' ' ' ILE . 4.6 mtt180 -94.55 125.66 39.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.577 HD11 ' HD2' ' A' ' 59' ' ' PHE . 2.8 mp -115.57 133.82 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' TYR . 46.2 t -109.97 114.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 3.0 p90 -138.9 164.52 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.381 1.051 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.57 138.94 20.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 -18.88 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.51 HG11 ' HA2' ' A' ' 64' ' ' GLY . 52.9 t -103.04 -57.69 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 14.5 tt -120.04 161.66 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -111.1 158.86 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 13.6 p90 -65.2 -33.74 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.608 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 13.7 pt-20 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 77.1 mt-30 -57.45 -43.14 83.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.45 -49.89 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 12.7 mt -54.77 -48.73 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -35.02 79.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 114' ' ' PHE . 1.2 t -58.68 -37.5 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 9.4 m-85 -69.73 -46.07 66.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.714 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 5.5 m95 -69.78 -19.93 63.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.95 -9.31 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.717 ' OD1' HD22 ' A' ' 58' ' ' LEU . 11.7 m-80 -114.14 -11.99 12.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -168.14 170.22 10.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.507 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' ALA . 0.8 OUTLIER -113.15 132.97 22.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 30.55 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -139.29 50.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.56 -15.82 19.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.52 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 78.57 -164.49 50.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.459 ' CE ' HG23 ' A' ' 132' ' ' THR . 0.0 OUTLIER -71.93 58.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.724 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 179.33 168.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.91 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.32 -123.09 22.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -100.58 8.71 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.76 132.59 51.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -116.79 135.21 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.01 167.23 27.39 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.459 HG23 ' CE ' ' A' ' 124' ' ' MET . 57.9 m -81.17 -6.92 59.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 0.808 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.463 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm0? -92.89 -27.92 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -89.25 68.98 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -125.07 -174.23 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 6.6 t -118.91 122.63 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -149.23 162.31 40.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.714 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 60.9 mt -129.39 128.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.617 ' HD2' HG22 ' A' ' 46' ' ' ILE . 32.6 m-85 -117.61 83.74 18.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.663 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -74.96 168.49 24.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.4 -31.45 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 56.5 p -108.43 162.1 21.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -21.45 15.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -32.87 60.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -71.16 -43.23 67.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -61.88 -40.58 95.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.97 -40.86 98.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.0 64.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.99 -54.24 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 146' ' ' ASP . 0.1 OUTLIER -66.36 -31.77 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.01 -34.77 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.265 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -80.07 -22.33 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 153' ' ' LEU . 2.9 tt -67.36 -50.57 59.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.97 -33.79 75.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.74 -48.81 80.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -74.3 -30.41 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.66 -41.04 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.612 1.195 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.75 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -69.66 -26.09 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.01 -41.26 97.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.23 -44.59 87.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.41 63.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.81 15.61 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.2 t70 62.48 19.19 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 101.08 10.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 3.84 27.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 155.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -98.26 141.35 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.489 HG12 HD21 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -68.39 116.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.52 HG21 ' HA2' ' A' ' 123' ' ' GLY . 38.0 p -107.17 18.74 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 14.3 t -89.11 149.77 23.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 139.87 47.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 25.4 mt -117.73 117.84 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.38 145.93 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -44.86 154.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -59.83 121.45 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.94 164.89 15.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -108.09 150.26 27.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 1.7 p90 -107.28 136.65 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.45 ' O ' ' CD1' ' A' ' 180' ' ' TYR . 55.7 m-85 -61.6 144.47 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.37 167.94 13.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.62 161.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.03 -34.42 64.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -22.61 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -102.57 -35.68 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.572 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.73 117.5 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 0.8 OUTLIER 58.68 47.53 12.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.802 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 18.4 t80 -66.41 -56.02 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.402 1.063 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -64.3 -14.07 53.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.594 ' N ' ' ND1' ' A' ' 191' ' ' HIS . 0.1 OUTLIER -84.44 -37.09 21.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -76.37 -32.46 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 195' ' ' TYR . 0.2 OUTLIER -128.83 96.5 29.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.422 1.748 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 195' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 193' ' ' ASN . 3.1 p90 -93.09 -4.51 52.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.92 -148.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 197' ' ' TYR . . . . . 0.523 ' O ' HD21 ' A' ' 190' ' ' LEU . 20.5 p90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -111.17 151.16 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 152.6 43.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.8 m -74.28 -34.71 63.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 26' ' ' THR . 11.9 mt -138.1 148.04 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.6 t-80 -50.79 170.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.83 -64.17 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.6 t -91.6 -51.47 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.0 OUTLIER -57.67 -23.31 50.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 39.63 29.52 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ASN . 12.4 m170 -99.6 165.71 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.584 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 p -64.38 119.29 10.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -55.29 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -64.78 -53.36 48.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 44' ' ' ILE . 3.6 t -125.41 136.71 28.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.92 146.77 33.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.609 1.847 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 122.92 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.68 -8.27 43.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 tpp -98.7 143.44 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -126.45 164.33 21.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.87 HG12 HG22 ' A' ' 99' ' ' VAL . 3.0 mt -115.33 152.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -133.06 124.49 27.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 3.3 mt -101.39 127.5 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 35.9 m-85 -150.12 155.21 39.41 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -119.36 113.57 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 21.92 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 85.19 -141.64 19.26 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -41.98 108.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.947 ' CD2' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.89 2.7 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 40.2 m0 -74.31 -53.06 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.975 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.76 -27.13 59.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 51' ' ' CYS . 34.3 t -73.04 -56.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 20.7 pt-20 -50.79 -51.63 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.0 -24.04 64.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 4.8 tp -68.61 -41.01 80.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 98' ' ' ILE . 34.0 m-85 -85.86 -33.21 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.54 -51.81 68.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 107.965 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -72.25 -4.04 27.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 113' ' ' VAL . 3.0 tt -83.01 137.34 43.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.544 1.812 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.73 -15.77 7.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.5 t -93.74 123.79 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -81.69 -46.34 14.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 167.15 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -134.64 169.82 16.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -160.02 145.73 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.947 ' HB1' ' CD2' ' A' ' 52' ' ' PHE . . . -108.44 149.91 28.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -172.35 -158.64 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.76 ' CE1' HG11 ' A' ' 85' ' ' VAL . 41.7 m-85 -148.27 147.83 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.5 t -170.42 164.07 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.42 -14.9 54.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -82.12 -157.47 20.63 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -116.93 -45.75 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.481 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 43.4 m -55.35 118.2 17.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.3 16.41 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 58.54 59.0 6.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.08 167.45 26.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.822 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.5 p -125.48 149.21 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.2 -29.69 14.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.79 -60.75 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 13.8 pt-20 -66.14 -44.88 82.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 72' ' ' TYR . 48.4 t -53.21 -39.81 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.3 t -54.76 -41.65 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -44.33 83.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.88 21.42 23.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.03 26.47 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.96 -35.43 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.3 -2.74 68.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.58 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 87.6 m-70 -80.97 142.71 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.19 160.07 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.7 tp10 -70.03 116.17 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.401 ' N ' ' OE1' ' A' ' 94' ' ' GLU . . . -125.04 156.39 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 70' ' ' ALA . 2.0 t -139.96 135.42 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -94.63 114.13 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.1 mt -104.57 123.58 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.87 HG22 HG12 ' A' ' 44' ' ' ILE . 45.3 t -101.73 114.33 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 5.3 p90 -135.13 165.17 26.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.92 135.76 19.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.11 17.65 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.09 -20.68 22.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.72 -65.6 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.4 tt -110.0 164.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -123.04 152.37 41.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -54.81 -41.06 70.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.643 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.5 tt0 -55.84 -41.42 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.74 -38.44 86.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 110' ' ' LEU . 19.6 mt -65.47 -50.62 64.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.658 HD13 ' HA ' ' A' ' 149' ' ' ALA . 74.4 mt -53.91 -38.39 64.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -66.0 -45.32 82.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.613 1.196 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 62' ' ' LEU . 2.5 t -53.76 -48.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.675 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 19.5 m-85 -49.78 -55.41 14.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 7.0 m95 -66.11 -19.89 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -89.12 -9.07 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.51 ' OD1' ' CD1' ' A' ' 58' ' ' LEU . 1.6 m-80 -112.14 -31.37 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.4 145.05 9.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.655 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.79 155.26 85.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 0.44 8.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.42 50.15 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 134' ' ' TYR . 12.9 pt20 -78.39 -12.85 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.06 -179.56 27.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttm -71.96 63.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.05 170.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 134' ' ' TYR . 10.6 tp60 -148.55 114.32 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.68 -119.28 17.63 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.95 11.86 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.535 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 0.2 OUTLIER -111.29 131.01 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -118.02 145.44 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.98 -178.16 27.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.0 p -90.24 -3.24 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -92.61 -1.43 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 57.7 m-85 -121.93 47.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 177.77 4.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.07 126.51 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.64 148.51 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 47' ' ' PHE . 43.8 mt -122.0 129.67 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.418 ' CE1' ' OG1' ' A' ' 177' ' ' THR . 42.4 m-85 -128.41 87.11 56.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.5 Cg_endo -75.0 171.63 17.94 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.431 HD21 HD12 ' A' ' 46' ' ' ILE . 4.3 mm? -113.33 -32.58 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.3 p -104.34 162.58 19.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -28.41 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.99 -30.87 65.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 65.8 mt-30 -72.37 -41.3 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -46.81 88.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.08 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.05 73.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.658 ' HA ' HD13 ' A' ' 111' ' ' LEU . . . -57.82 -51.07 71.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -69.5 -38.5 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.85 -38.52 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.403 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.4 p -80.44 -34.93 35.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 169' ' ' ILE . 6.7 tt -60.98 -51.96 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.66 -43.25 99.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -42.89 91.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 5.2 t80 -70.55 -29.83 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.505 ' O ' HD12 ' A' ' 161' ' ' LEU . 4.4 tt0 -54.38 -45.36 72.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.68 -34.01 35.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -59.04 -56.46 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.402 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 6.1 ptt? -62.51 -35.47 79.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -59.36 -46.52 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -55.75 -22.74 25.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -88.1 11.12 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER 80.78 -1.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.3 91.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 16.83 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.24 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.402 ' O ' ' CE ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -68.5 156.75 37.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -97.41 127.3 43.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.671 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 153' ' ' LEU . 1.8 mt -60.1 116.44 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 170' ' ' THR . 0.6 OUTLIER -91.4 15.55 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.0 m -83.09 138.71 33.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 127.55 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.62 116.89 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.23 156.12 42.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -45.54 144.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -53.71 118.54 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.418 ' OG1' ' CE1' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -86.02 168.13 20.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.0 72.55 4.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.85 148.55 39.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.12 130.31 56.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.426 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 28.2 m-85 -59.6 138.4 57.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.03 168.71 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 8.9 mt-10 -46.16 147.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -32.96 74.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -32.8 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 33.8 m-70 -85.05 -36.37 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -50.88 110.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 188' ' ' GLN . 3.8 mm-40 56.72 57.85 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 27.9 t80 -71.2 -45.06 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 193' ' ' ASN . 5.8 mt -67.24 -10.09 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -69.69 -31.97 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.583 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -83.41 -36.85 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.739 ' O ' HD23 ' A' ' 190' ' ' LEU . 6.2 p-10 -129.14 104.97 18.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -13.61 21.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -101.42 12.89 36.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 196' ' ' GLY . . . . . 0.687 ' HA3' HD21 ' A' ' 193' ' ' ASN . . . -70.01 -158.29 2.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 111.011 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.8 tp -109.9 14.79 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -93.78 107.33 19.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -147.25 87.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -87.26 23.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -49.87 -25.86 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 137.89 49.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.45 170.01 16.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -78.39 148.02 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.53 163.75 48.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.05 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.34 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -39.18 13.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -50.45 155.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.06 151.5 3.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.37 9.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 126.04 161.21 10.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.58 159.64 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.76 88.46 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 m -133.45 99.25 14.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.86 18.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.35 129.95 23.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.69 29.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -112.28 127.78 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 152.53 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 27' ' ' LEU . 22.3 m -74.81 -39.92 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 26' ' ' THR . 18.3 mt -133.05 168.61 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.0 t-80 -64.6 169.06 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.58 -64.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 191' ' ' HIS . 9.9 t -91.13 -49.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.36 -27.62 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.21 25.76 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' ASN . 2.8 m170 -100.46 -171.82 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.43 121.16 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -48.59 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.1 p -98.16 -49.64 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -51.44 127.04 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -116.47 133.54 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.44 36.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.39 119.38 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.0 31.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.478 ' HG3' HG12 ' A' ' 99' ' ' VAL . 23.0 tpp -88.91 144.58 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.744 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.4 mt-10 -128.46 164.32 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 99' ' ' VAL . 7.1 mt -110.77 155.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -142.34 129.74 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.8 mp -111.03 124.99 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 25.3 m-85 -145.69 143.5 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.74 113.65 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 55' ' ' VAL . 3.5 mmm -126.16 18.85 7.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.24 -136.83 13.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -41.5 110.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 39.0 p90 -82.41 -2.65 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 47.5 m0 -70.7 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.78 -44.19 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 49' ' ' MET . 79.8 t -51.88 -57.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 6.3 tt0 -56.07 -40.89 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -53.86 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -55.42 -48.13 74.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 5.0 m-85 -60.63 -32.19 71.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CD1' ' NE2' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -75.13 -39.87 60.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -72.75 -3.8 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.067 HD11 HG11 ' A' ' 113' ' ' VAL . 19.5 mt -82.28 142.26 47.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.71 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 119.45 -15.47 10.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 59' ' ' PHE . 59.5 t -88.11 114.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.28 -52.97 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -148.66 158.97 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.5 p -136.77 160.01 40.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.87 157.48 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.946 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.42 141.55 49.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -175.78 -159.31 21.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.98 151.92 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.85 171.2 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.71 -16.18 59.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.16 -171.9 47.77 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -113.99 -31.94 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -58.43 120.17 42.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.99 132.85 15.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 9.9 m120 52.4 63.97 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.541 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 169.04 23.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.429 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 78.2 m -122.19 152.54 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -50.52 -46.93 57.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.0 -39.01 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.0 mt-10 -68.1 -49.4 61.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 133' ' ' GLN . 81.6 t -60.85 -36.39 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -37.73 72.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -48.73 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.12 19.4 21.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 4.0 m-20 -98.6 17.16 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 62.0 p -113.58 -29.03 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.23 3.78 86.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.5 m-70 -84.18 143.84 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.63 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.38 166.68 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -69.8 116.58 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.31 151.4 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.7 m -141.65 141.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' A' ' 179' ' ' PHE . 17.2 mtt-85 -94.75 116.54 28.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.712 HG23 HG13 ' A' ' 65' ' ' VAL . 3.2 mp -108.23 132.02 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 44' ' ' ILE . 17.1 t -110.74 114.0 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD2' ' CD1' ' A' ' 110' ' ' LEU . 4.7 p90 -134.29 165.92 24.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' SD ' ' A' ' 42' ' ' MET . 0.8 OUTLIER -99.35 137.66 20.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.5 21.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -17.56 30.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.4 t -101.98 -65.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 20.4 tt -109.75 157.1 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 p -117.26 144.52 44.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.4 p90 -49.85 -33.62 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -60.45 -42.84 96.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -64.73 -48.91 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 17.1 mt -55.28 -52.5 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 9.9 mt -54.77 -45.83 74.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 116' ' ' GLU . 9.1 tt0 -58.71 -46.37 87.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.067 HG11 HD11 ' A' ' 62' ' ' LEU . 39.5 t -55.49 -42.62 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.808 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 4.3 m-30 -61.64 -33.78 74.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 16.4 m95 -86.23 -19.91 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' GLN . 1.1 tt0 -93.69 -9.06 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' A' ' 58' ' ' LEU . 2.5 m-80 -113.88 -35.91 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -135.0 168.06 19.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.63 144.01 28.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.03 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.61 50.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -93.79 12.91 24.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.475 ' N ' HG21 ' A' ' 170' ' ' THR . . . 40.79 -149.72 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -87.02 44.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 111.013 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -154.62 151.04 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -139.69 115.97 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.17 -117.44 10.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.13 24.92 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 2.6 m-20 -115.05 146.13 41.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -119.9 142.8 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 149.52 5.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 124' ' ' MET . 20.6 m -76.75 0.24 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 85' ' ' VAL . 17.3 pt20 -95.21 -0.24 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 19.8 m-85 -110.06 40.1 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -164.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -139.72 123.57 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.78 161.83 41.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.52 HG22 ' HD3' ' A' ' 140' ' ' PRO . 9.1 mt -130.34 138.93 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 177' ' ' THR . 62.3 m-85 -134.15 87.25 34.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.97 176.61 9.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.1 mm? -112.93 -31.87 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -109.6 167.46 9.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -32.32 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.53 -41.71 62.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -62.97 -44.41 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.09 -38.03 87.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.68 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.04 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -64.07 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.449 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 20.6 p -59.0 -37.28 76.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.572 HD12 HG22 ' A' ' 171' ' ' THR . 6.1 tt -61.82 -50.47 72.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.54 -36.66 69.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.39 83.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 1.1 t80 -64.58 -35.58 81.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.483 ' O ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -52.64 -41.88 64.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.71 -35.47 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -63.88 -35.17 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.24 -49.59 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 157' ' ' GLN . 2.2 mm? -52.53 -38.1 59.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 208' ' ' PRO . . . -63.79 -30.22 71.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 205' ' ' VAL . . . -92.69 24.2 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.4 t0 47.7 31.98 2.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.21 99.54 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.39 10.17 18.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.9 159.16 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -98.5 122.86 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.56 124.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.7 t -100.62 -20.51 15.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.572 HG22 HD12 ' A' ' 153' ' ' LEU . 1.1 m -55.76 132.7 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.14 126.78 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.446 ' CG2' ' OD2' ' A' ' 146' ' ' ASP . 2.3 mp -103.89 132.48 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.41 162.76 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -52.11 140.23 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.04 128.85 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 139' ' ' TYR . 2.5 p -101.27 167.4 10.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.99 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -115.62 124.94 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 139.71 57.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.583 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -88.3 169.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.16 158.87 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -37.62 87.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.62 -36.8 69.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -83.18 -36.19 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.566 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.49 118.3 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 191' ' ' HIS . 10.0 mp0 52.92 53.05 12.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 10.7 t80 -68.85 -49.87 54.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -62.97 -14.01 42.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.527 ' CG ' ' HB3' ' A' ' 188' ' ' GLN . 22.6 m80 -82.36 -31.03 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -76.63 -40.97 47.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.4 116.28 41.75 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.11 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.05 18.49 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.3 -164.99 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.91 112.74 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.6 p -140.19 147.12 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -161.46 -43.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.48 HD11 ' O ' ' A' ' 117' ' ' ASN . 18.5 tt -49.99 149.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 133.78 49.7 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.83 54.01 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.8 170.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.91 84.45 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 163' ' ' ALA . 61.2 t -69.98 155.61 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.01 121.61 45.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 153.29 1.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.475 ' HB3' ' HB2' ' A' ' 162' ' ' ALA . 18.2 Cg_endo -75.0 128.88 11.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 120.69 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.787 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.92 -39.63 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.8 14.95 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.27 157.03 14.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -126.76 112.54 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -87.21 29.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 7.5 23.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -60.26 98.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.646 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD11 ' CG2' ' A' ' 132' ' ' THR . 1.6 mm? -112.58 163.51 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.43 145.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.54 153.97 93.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.9 5.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.574 1.828 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.12 -25.82 58.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.614 1.196 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.32 -35.38 15.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -51.53 158.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.1 152.26 88.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -9.28 20.74 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.85 -176.45 9.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -129.01 172.58 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 0.816 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 18.8 p-10 -96.29 95.91 8.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 p -144.15 100.4 4.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.87 28.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.42 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 21.8 mmt -98.24 135.13 21.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -74.98 146.56 32.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.01 147.93 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 154.22 38.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 -43.96 80.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -123.86 169.38 11.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.1 t-80 -64.17 168.53 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.32 -64.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 22.1 t -90.21 -48.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -58.01 -32.89 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.13 17.96 8.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.647 ' CE1' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -100.57 168.61 9.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.542 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.647 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 79.1 p -50.3 119.95 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.917 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.471 ' HE3' ' HG2' ' A' ' 187' ' ' GLN . 0.4 OUTLIER -80.07 -53.88 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -73.83 -54.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.47 136.73 44.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.247 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 44' ' ' ILE . 2.4 t -123.52 134.85 25.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.08 140.16 24.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.82 127.32 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.1 -21.73 24.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 ttm -88.63 164.56 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.07 165.12 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.229 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 HG21 ' A' ' 38' ' ' VAL . 5.4 mt -114.33 153.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -143.3 126.26 16.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.178 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 179' ' ' PHE . 5.1 mt -95.59 125.02 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -136.3 147.27 47.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.3 121.57 24.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.588 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 12.9 mtp -141.6 39.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 -123.4 9.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.9 p -44.68 109.99 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 38.7 p90 -85.03 -2.79 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.719 ' HB3' HD23 ' A' ' 190' ' ' LEU . 52.4 m0 -70.04 -60.29 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.31 -44.75 16.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -51.91 -42.57 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 30.2 tt0 -67.78 -49.12 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -55.8 -52.04 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -54.78 -34.93 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.6 m-85 -76.56 -41.57 45.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.29 72.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -73.35 -3.47 27.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -69.55 138.15 88.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.26 3.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 116.87 -6.58 17.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.94 118.25 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.2 t80 -71.55 -43.89 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.92 162.31 18.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 46.4 p -129.86 169.37 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.818 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -149.9 159.63 44.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -115.8 141.52 47.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.224 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.73 177.96 44.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 180' ' ' TYR . 1.1 p90 -122.54 148.08 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 0.725 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 t -170.33 171.86 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.63 -6.03 51.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 92' ' ' HIS . . . -111.19 -172.85 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -109.02 -31.95 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 0.807 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 80' ' ' PRO . 3.0 m -50.36 116.95 7.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.01 138.63 23.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.462 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 78.9 m-20 39.96 61.83 5.98 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.594 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.0 170.71 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -124.53 165.31 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -54.14 -33.64 58.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.38 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 4.9 mt-10 -54.85 -50.82 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' HA ' HG21 ' A' ' 90' ' ' THR . 39.1 t -59.77 -42.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -36.86 50.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 108.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -49.64 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.34 8.0 57.84 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.446 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 5.0 t70 -96.6 20.77 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -106.91 -35.25 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.407 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 91.66 -6.39 79.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 80.8 m-70 -85.62 144.02 28.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.657 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.608 ' HB2' ' NH2' ' A' ' 135' ' ' ARG . . . -120.33 167.86 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -74.41 115.7 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.76 19.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -144.47 135.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.818 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 0.4 OUTLIER -85.52 128.18 34.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -117.27 127.38 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG22 HG12 ' A' ' 44' ' ' ILE . 5.9 t -112.87 114.88 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HD2' HG23 ' A' ' 105' ' ' ILE . 17.0 p90 -137.6 165.16 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.594 1.184 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.66 138.66 19.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 -7.71 19.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t -89.29 -24.5 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 ' HA2' ' A' ' 64' ' ' GLY . 54.1 t -100.12 -59.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 100' ' ' TYR . 18.2 tt -118.89 163.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -122.53 162.91 20.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 24.7 p90 -62.18 -35.59 79.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.603 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 tp10 -61.18 -46.58 89.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.17 -41.27 92.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 105' ' ' ILE . 87.1 mt -61.56 -45.87 92.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.592 ' CD2' HD13 ' A' ' 138' ' ' ILE . 34.7 mt -58.39 -41.25 84.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -46.12 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -56.52 -39.08 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.588 ' CZ ' ' CG ' ' A' ' 49' ' ' MET . 3.1 t80 -57.55 -52.71 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CH2' HD11 ' A' ' 138' ' ' ILE . 3.5 m95 -67.67 -22.39 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.05 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.668 ' O ' HD11 ' A' ' 203' ' ' ILE . 9.2 mt-10 -92.48 -2.08 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.513 ' ND2' HD13 ' A' ' 58' ' ' LEU . 10.7 t-20 -102.95 -35.5 8.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -169.55 169.82 8.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 109.564 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 121' ' ' ALA . 1.1 p-10 -97.4 124.03 50.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -74.97 24.44 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -126.06 50.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 19.34 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.55 -148.88 15.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.12 50.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.413 0.714 . . . . 0.0 110.967 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -155.06 155.88 34.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -147.17 125.71 12.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.442 ' N ' ' OE1' ' A' ' 126' ' ' GLN . . . 65.6 -121.89 21.18 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -111.17 21.55 16.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 0.738 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 16.1 m-20 -113.8 144.3 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -118.45 137.32 53.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.76 148.4 5.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.622 ' CG2' HD11 ' A' ' 8' ' ' LEU . 5.7 m -71.11 -5.48 31.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.84 -4.73 54.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 21.2 m-85 -102.91 38.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.065 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.608 ' NH2' ' HB2' ' A' ' 93' ' ' ALA . 9.2 mtm105 -88.54 177.49 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 p -126.44 137.0 53.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.84 147.73 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.712 HD11 ' CH2' ' A' ' 115' ' ' TRP . 53.2 mt -110.15 136.71 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -131.08 84.69 56.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.1 Cg_endo -75.08 172.88 15.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.18 -22.48 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.4 HG23 ' OE1' ' A' ' 145' ' ' GLN . 9.7 p -115.48 163.58 20.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.44 6.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.57 -30.76 70.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 64.4 mt-30 -74.42 -39.29 62.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.499 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -63.6 -51.59 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.5 87.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.93 -53.27 60.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.521 ' HG2' HD13 ' A' ' 173' ' ' ILE . 5.2 mmm180 -60.27 -45.3 93.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.7 89.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.8 p -63.69 -39.5 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 169' ' ' ILE . 10.2 tt -63.99 -51.93 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.08 -35.08 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -32.45 63.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.591 ' HD2' HD11 ' A' ' 169' ' ' ILE . 41.1 t80 -74.86 -32.71 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -39.46 59.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.07 -34.21 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.17 25.31 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.465 ' HE1' ' HA ' ' A' ' 168' ' ' HIS . 2.9 ptt? -59.58 -33.76 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.66 -38.37 72.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.594 ' HB2' ' HD3' ' A' ' 209' ' ' PRO . . . -67.73 -25.83 65.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.67 -5.05 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.2 t70 79.69 25.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.71 109.1 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -2.08 56.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.13 98.71 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.465 ' HA ' ' HE1' ' A' ' 160' ' ' MET . 46.2 t-80 -62.62 146.46 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.623 HD13 ' HG ' ' A' ' 153' ' ' LEU . 95.0 mt -55.33 136.25 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -109.34 -39.49 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.441 HG22 ' CG2' ' A' ' 169' ' ' ILE . 5.4 t -40.49 149.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.64 152.44 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 150' ' ' ARG . 6.5 mt -114.77 133.41 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.98 162.63 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.217 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.09 141.93 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -46.33 128.8 10.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.1 p -106.78 163.33 17.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.64 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.8 p90 -98.15 147.51 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.468 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -109.29 142.99 39.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.89 145.1 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.6 166.89 13.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.57 158.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -39.64 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 67.0 m-70 -77.92 -36.21 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -53.54 114.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 5.0 mm-40 53.05 54.54 10.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.71 ' CE1' ' ND2' ' A' ' 193' ' ' ASN . 31.4 t80 -63.92 -46.56 84.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.734 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -62.15 -14.58 38.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.84 -45.35 36.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.71 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 1.1 p-10 -137.19 102.68 8.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.01 11.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -98.38 7.74 45.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.506 ' HA3' HD21 ' A' ' 193' ' ' ASN . . . -68.23 -155.94 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.734 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.6 OUTLIER -49.7 112.61 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 111.069 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.86 160.02 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 108.279 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 121.26 56.05 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.593 1.183 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 10.3 tt -107.07 -46.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -50.85 117.11 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 156.62 99.83 0.16 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.668 HD11 ' O ' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -120.18 -62.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 111.9 -24.73 14.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 160' ' ' MET . 16.8 t -90.57 129.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.29 -59.75 1.75 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 108.365 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 4.3 pp -140.12 151.32 64.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.42 14.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.594 ' HD3' ' HB2' ' A' ' 162' ' ' ALA . 18.3 Cg_endo -75.07 -172.12 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.27 -37.25 77.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.89 -14.31 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -66.84 141.37 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.59 149.92 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 30.05 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -87.01 9.7 18.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -60.19 133.29 55.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 109.618 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.23 167.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 13' ' ' ASP . 9.9 p -50.04 165.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -98.88 174.28 3.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.99 -38.0 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.88 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -85.4 -36.59 20.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.14 156.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.99 112.99 55.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.82 4.08 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.18 102.82 0.63 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 136.05 35.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -104.86 169.46 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.654 HG23 ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -69.83 144.21 93.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.01 152.99 41.39 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtt -93.66 155.56 40.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.91 19.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -101.52 129.88 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.23 166.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 HG22 ' HG ' ' A' ' 27' ' ' LEU . 3.7 m -78.7 -42.29 28.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 26' ' ' THR . 5.9 mt -128.77 -176.85 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.3 t-80 -71.86 168.26 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -71.5 -65.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG22 ' CE1' ' A' ' 191' ' ' HIS . 16.8 t -90.54 -46.86 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -59.04 -31.79 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.07 17.95 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -100.17 170.07 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.547 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -52.39 119.95 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 mtp -79.85 -54.64 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -74.92 -55.04 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.14 128.41 35.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 44' ' ' ILE . 2.8 t -119.2 136.03 24.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 141.37 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.03 136.97 58.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.08 -5.07 52.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.0 mtt -116.41 162.25 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.34 166.9 22.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 99' ' ' VAL . 9.5 mt -107.14 150.8 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.59 124.6 25.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.64 126.38 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.482 ' CE1' HG23 ' A' ' 138' ' ' ILE . 25.4 m-85 -136.71 146.98 46.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.83 110.01 13.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 2.3 mtp -131.29 39.57 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.29 -129.98 18.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.649 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.5 p -43.53 109.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -83.41 0.3 46.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -73.18 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.8 -31.62 55.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 51' ' ' CYS . 74.6 t -67.26 -48.4 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.9 tt0 -56.0 -56.7 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 1.3 ppt_? -61.16 -24.19 66.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.596 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -63.52 -44.65 93.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' HD22 ' A' ' 110' ' ' LEU . 40.7 m-85 -79.46 -34.78 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.85 75.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -64.72 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -61.2 135.67 93.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 125.62 -13.97 7.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 HG23 ' A' ' 98' ' ' ILE . 80.2 t -88.45 111.27 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -70.15 -45.63 66.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.603 1.189 . . . . 0.0 110.99 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -169.69 154.8 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.07 161.94 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -145.39 140.66 27.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -86.4 143.72 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.93 -170.25 26.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 180' ' ' TYR . 2.1 p90 -137.23 146.15 44.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -170.19 164.46 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 2.16 34.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -103.59 -164.67 25.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.592 0.819 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 11' ' ' PRO . 58.5 m-85 -117.99 -34.15 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 35.5 m -57.05 123.76 61.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.77 20.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.6 m-20 45.9 63.64 9.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.0 164.83 32.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.819 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.7 t -124.83 159.18 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -50.05 -46.02 52.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 81' ' ' THR . 44.4 mt-10 -65.92 -46.29 78.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' OE1' ' A' ' 133' ' ' GLN . 71.2 t -58.08 -42.96 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.7 t -54.32 -40.91 68.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -50.01 75.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.92 6.34 56.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.43 21.1 7.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -110.97 -24.51 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.75 68.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 88.7 m-70 -82.86 139.4 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.87 161.16 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.62 114.49 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 160.23 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 23.8 t -138.08 133.12 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.636 ' NE ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -90.15 114.56 26.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.61 HG23 HG13 ' A' ' 65' ' ' VAL . 3.5 mp -99.83 131.58 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 44' ' ' ILE . 6.1 t -109.74 114.53 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.523 ' CD1' HG23 ' A' ' 105' ' ' ILE . 11.2 p90 -135.27 165.27 25.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.83 137.2 19.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -16.86 28.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.8 -62.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.523 HG23 ' CD1' ' A' ' 100' ' ' TYR . 18.8 tt -112.76 163.9 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -125.28 159.53 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -56.82 -33.7 66.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.7 tt0 -64.1 -40.79 96.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.53 -37.66 84.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' PHE . 82.1 mt -74.98 -34.57 62.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.848 HD21 ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -75.48 -33.77 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.215 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.81 -55.26 15.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.721 HG11 HD11 ' A' ' 62' ' ' LEU . 6.6 p -57.39 -34.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.606 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 22.3 t80 -51.8 -51.54 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.848 ' CH2' HD21 ' A' ' 111' ' ' LEU . 6.2 m0 -59.48 -31.72 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -93.03 7.64 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.744 HD22 HD11 ' A' ' 200' ' ' ILE . 24.6 m120 -112.4 -49.75 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 49' ' ' MET . 7.7 m80 -138.59 167.07 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.79 135.87 19.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.98 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.55 49.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.495 HE21 ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -102.33 -11.25 18.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 71.75 -175.93 40.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 6' ' ' LYS . 1.2 mtt -69.27 59.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' GLY . 4.4 ptp180 -179.8 152.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.438 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 32.5 tp60 -142.07 137.94 31.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.01 -128.55 26.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -93.92 16.2 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.352 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.36 128.13 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -120.02 131.23 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.636 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.61 157.08 9.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.065 . . . . 0.0 111.009 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 m -76.21 -0.53 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.603 0.825 . . . . 0.0 110.42 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' A' ' 85' ' ' VAL . 12.1 mm-40 -95.99 -5.86 40.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 110.235 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -108.35 44.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 136' ' ' SER . 73.2 ttt180 -92.76 166.0 12.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 135' ' ' ARG . 12.4 t -104.45 125.41 50.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.85 146.52 20.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 47' ' ' PHE . 79.5 mt -112.72 133.25 59.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 41.1 m-85 -125.06 84.38 59.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 141' ' ' LEU . 2.5 mm? -113.52 -28.0 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.6 p -103.02 161.26 23.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.74 6.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.67 -31.58 68.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.12 -39.14 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -46.89 87.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.61 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -67.16 -44.54 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.09 -54.25 49.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.22 -37.78 86.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.83 -40.76 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 p -78.68 -36.43 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.2 tt -60.64 -51.95 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.6 -33.73 74.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.57 61.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 0.4 OUTLIER -51.68 -37.39 50.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -53.5 -49.8 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.33 -38.98 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 206' ' ' CYS . . . -51.53 -56.77 11.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 14.2 ptm -64.0 -34.72 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -48.39 76.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.58 -21.95 61.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -81.0 2.86 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.8 t70 81.47 8.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.97 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.23 11.15 19.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 159.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -98.68 122.29 41.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.11 114.76 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.424 HG21 ' HA2' ' A' ' 123' ' ' GLY . 81.7 p -95.08 10.42 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 120' ' ' PRO . 5.9 t -87.58 141.05 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.06 149.18 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 153' ' ' LEU . 3.5 mt -108.46 129.85 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.52 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -132.41 160.12 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -58.89 146.38 37.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.15 116.68 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.424 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.6 OUTLIER -101.72 178.35 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.07 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.581 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 4.4 p90 -65.27 150.69 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.659 ' CB ' ' CE1' ' A' ' 72' ' ' TYR . 39.8 m-85 -109.21 124.6 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.409 ' HA ' ' NH2' ' A' ' 97' ' ' ARG . 15.5 m-85 -64.57 131.58 47.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.29 170.04 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.546 ' OE2' ' CE1' ' A' ' 186' ' ' HIS . 6.0 pt-20 -65.0 161.14 19.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.206 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -31.94 73.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -25.61 59.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.546 ' CE1' ' OE2' ' A' ' 183' ' ' GLU . 34.8 m170 -99.91 -48.7 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -54.08 133.1 43.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 42.51 48.65 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.556 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.0 t80 -64.42 -50.26 68.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -28.48 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.5 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -75.71 -36.45 60.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -66.07 -31.27 72.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.13 103.08 14.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.4 21.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.425 1.75 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.63 7.28 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.88 -158.21 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -110.4 131.36 55.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.5 p -113.51 128.07 56.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -96.7 -31.33 7.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.744 HD11 HD22 ' A' ' 117' ' ' ASN . 5.8 tt -56.01 150.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -164.26 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 124.24 126.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.75 HD12 HG23 ' A' ' 205' ' ' VAL . 0.1 OUTLIER -82.36 -50.48 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 64.2 88.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.75 HG23 HD12 ' A' ' 203' ' ' ILE . 1.3 t -131.37 140.68 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' CYS . . . . . 0.679 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 7.4 t -42.66 122.59 2.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 108.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.12 155.29 80.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.2 Cg_endo -75.06 154.28 42.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.468 1.772 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.2 Cg_endo -75.09 164.12 33.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -56.64 149.56 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.79 15.02 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -103.03 111.06 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -140.05 58.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -87.23 30.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -86.54 9.84 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.96 105.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD21 ' HB ' ' A' ' 132' ' ' THR . 0.3 OUTLIER -73.18 169.99 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -41.33 145.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.11 168.97 21.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' O ' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.96 -41.27 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.21 63.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.83 -39.35 24.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 142.19 12.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.01 113.31 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.02 85.29 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' PRO . . . -43.63 -95.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -157.13 176.47 12.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -104.49 96.82 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.47 99.26 7.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.81 22.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 mtt -87.81 160.53 46.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 147.66 33.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.41 128.71 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 152.08 17.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' HD23 ' A' ' 27' ' ' LEU . 58.6 m -75.35 -40.62 58.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.46 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' THR . 73.6 mt -125.66 168.15 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 60.4 t-80 -72.23 164.66 25.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.584 1.177 . . . . 0.0 109.646 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -73.64 -65.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 191' ' ' HIS . 38.8 t -86.46 -51.1 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.576 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -56.21 -34.92 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 65.03 6.28 24.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' HIS . 2.4 m-70 -101.44 159.03 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 p -64.79 118.83 9.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -28.75 35.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 p -74.84 -45.8 40.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 133.17 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 44' ' ' ILE . 54.4 t -123.22 113.88 29.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.47 32.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 127.69 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 100.49 -20.47 48.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HB3' HG13 ' A' ' 38' ' ' VAL . 32.7 tpp -79.95 143.46 34.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.42 167.42 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.9 mt -117.39 155.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -143.23 125.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.52 HD12 ' HB1' ' A' ' 176' ' ' ALA . 30.4 mt -102.63 124.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -131.57 146.63 52.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 137' ' ' ALA . . . -124.66 110.0 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -132.76 16.59 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 87.92 -124.83 7.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -41.89 109.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 40.1 p90 -84.57 -2.18 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 46.8 m0 -70.02 -59.94 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.14 -44.55 17.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 51' ' ' CYS . 79.0 t -52.3 -57.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CG1' ' A' ' 96' ' ' VAL . 30.6 tt0 -61.83 -35.2 77.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.71 -55.26 18.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.659 HD21 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -59.03 -33.18 70.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -63.34 -55.86 21.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.29 -14.72 63.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.027 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.31 -0.12 48.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -96.47 143.21 25.72 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 109.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 131.33 -8.99 5.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.609 1.193 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 59' ' ' PHE . 83.4 t -90.17 121.85 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -80.05 -46.98 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -160.64 160.67 31.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 41.4 p -139.83 158.59 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.81 152.66 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.4 149.95 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.83 -173.8 37.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' CD2' HG21 ' A' ' 85' ' ' VAL . 68.4 m-85 -126.73 146.78 50.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -167.86 163.91 14.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.32 -5.86 38.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -117.53 165.11 12.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 11' ' ' PRO . 66.7 t80 -86.03 -33.0 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.9 m -49.89 116.77 6.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.0 23.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.3 m120 45.83 64.1 8.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.9 154.43 43.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 85' ' ' VAL . 31.7 m -118.33 160.41 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.26 -45.36 65.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -46.07 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.47 -49.01 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 90' ' ' THR . 90.4 t -57.96 -36.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -32.0 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -49.25 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.51 10.07 58.37 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.61 17.88 19.39 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.59 0.818 . . . . 0.0 109.367 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -105.55 -35.57 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.05 -3.54 84.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 47.5 m-70 -83.39 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.86 173.83 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 133' ' ' GLN . 4.0 tp10 -83.6 114.82 21.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.57 164.0 23.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.0 t -142.04 135.98 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -89.74 130.91 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.726 HD11 ' CE2' ' A' ' 59' ' ' PHE . 2.7 mp -126.96 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 44' ' ' ILE . 84.5 t -114.94 114.63 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.629 ' CD2' HD11 ' A' ' 110' ' ' LEU . 14.4 p90 -134.42 165.07 26.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.63 136.13 19.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.02 -13.17 21.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 -10.44 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.3 t -112.75 -56.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 100' ' ' TYR . 17.9 tt -117.93 163.34 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.3 p -117.85 155.95 29.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 30.5 p90 -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 9.4 tt0 -58.72 -41.14 85.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.55 -51.56 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.629 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.9 mt -57.03 -39.62 75.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 138' ' ' ILE . 7.0 mt -71.22 -33.53 69.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -58.88 -55.39 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.53 -35.86 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 7.5 t80 -48.85 -56.87 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.83 -21.2 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 3.87 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.721 ' OD1' HG22 ' A' ' 113' ' ' VAL . 26.4 m120 -130.55 -47.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' PHE . 2.1 t-160 -138.71 146.53 41.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 141.23 31.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.07 0.93 8.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.67 48.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 118' ' ' HIS . 3.7 tp-100 -96.0 4.92 52.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 170' ' ' THR . . . 62.25 -179.36 4.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 62.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 179.91 157.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -149.16 142.56 25.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.21 -120.75 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 14.81 23.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 22.9 m-20 -110.59 137.91 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -120.14 143.42 48.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.603 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.1 166.35 14.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.557 ' HB ' HD21 ' A' ' 8' ' ' LEU . 77.8 p -80.38 0.28 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -93.62 -27.09 16.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 40.1 m-85 -97.73 62.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -119.27 -173.4 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 131.46 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -159.91 142.45 13.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.526 HD13 ' CD2' ' A' ' 111' ' ' LEU . 96.1 mt -117.76 125.7 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.567 1.167 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -115.51 86.79 15.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 44' ' ' ILE . 22.2 mt -112.27 -32.28 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.0 p -105.07 164.03 15.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.17 9.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.93 -32.25 67.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.28 -38.07 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -63.28 -50.93 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.83 77.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.27 74.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.89 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 155' ' ' ARG . . . -54.56 -40.95 69.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.2 p -69.55 -40.65 76.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.39 1.056 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 171' ' ' THR . 5.5 tt -62.23 -47.1 85.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.88 -40.82 75.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 151' ' ' ALA . 26.3 mtt85 -69.06 -33.87 74.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.235 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 38.7 t80 -67.14 -39.06 86.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HB2' HD11 ' A' ' 169' ' ' ILE . 34.9 tt0 -51.78 -39.8 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.51 35.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.55 19.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -60.2 -34.05 73.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 161' ' ' LEU . 0.6 OUTLIER -63.24 -41.55 99.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.69 65.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.02 46.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.02 30.45 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.69 111.02 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 19.13 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 147.32 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -87.3 140.13 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.974 HG23 HG22 ' A' ' 171' ' ' THR . 60.0 mt -76.44 107.61 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.539 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.5 t -93.11 -19.22 21.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.974 HG22 HG23 ' A' ' 169' ' ' ILE . 9.9 t -57.29 146.65 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 135' ' ' ARG . 0.3 OUTLIER -138.59 138.67 38.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.4 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 3.6 mt -117.11 129.2 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -150.44 157.3 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -48.71 147.04 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.52 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -58.5 120.59 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.7 p -93.41 163.04 26.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 97' ' ' ARG . 19.5 p90 -85.86 149.41 25.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.77 134.61 49.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.059 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -65.55 141.95 58.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.34 167.83 13.19 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.86 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.58 -36.19 80.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.09 -30.69 60.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 91.0 m-70 -91.73 -39.95 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 119.23 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 28' ' ' HIS . 1.2 mt-30 53.43 50.52 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.576 ' CD1' ' CD2' ' A' ' 53' ' ' TRP . 57.8 t80 -65.24 -51.23 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.701 HD11 ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -49.21 -28.25 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.797 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.37 -36.99 71.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.589 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 192' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 189' ' ' TYR . 3.5 tttp -78.33 -36.35 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.408 ' OD1' ' CD1' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -119.78 102.0 47.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -17.98 19.38 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 2.1 p90 -102.66 19.24 19.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.59 -169.87 41.32 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.567 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 -65.95 120.04 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.701 ' SG ' HD11 ' A' ' 190' ' ' LEU . 51.4 m -123.39 -47.31 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -42.54 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 201' ' ' GLY . 9.4 tp -61.64 -52.71 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 0.753 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 200' ' ' ILE . . . 157.97 -148.84 18.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -110.59 112.43 3.26 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.97 170.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.91 80.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.71 131.14 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 109.372 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 90.1 m -113.06 174.65 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 108.273 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.85 131.19 14.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.02 17.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.798 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.7 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -50.62 112.28 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.3 pt? -109.55 -44.02 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -139.6 158.56 43.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.92 63.78 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 29.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 4.14 25.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.08 139.93 57.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.588 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.5 tp -148.8 153.79 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.36 157.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -101.03 174.07 3.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.02 -44.95 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.32 -12.18 60.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.59 -33.35 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 159.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.49 105.69 0.54 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.36 -149.81 5.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -171.07 145.99 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' CG ' ' CG2' ' A' ' 81' ' ' THR . 3.6 t-20 -105.61 167.86 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.9 p -75.31 157.23 85.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.12 28.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.4 mtt -104.09 154.09 38.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.79 42.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.63 150.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.231 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 157.55 33.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HD23 ' A' ' 27' ' ' LEU . 32.2 m -89.74 -33.18 16.67 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 26' ' ' THR . 44.9 mt -129.02 157.96 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.86 168.74 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.572 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.844 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.57 -64.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -90.41 -47.68 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -58.37 -32.81 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 56.67 16.37 16.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -99.7 162.97 12.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 0.715 . . . . 0.0 109.586 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 m -60.73 120.22 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -42.93 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -66.12 -50.91 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.79 125.47 27.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -104.37 136.1 19.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 150.21 38.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.57 139.28 55.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.98 -15.84 59.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.585 1.178 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.91 162.21 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.94 165.43 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 99' ' ' VAL . 12.0 mt -109.87 147.34 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -131.62 125.07 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 139' ' ' TYR . 3.5 mt -104.16 132.03 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 65.4 m-85 -150.42 140.71 22.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -110.8 109.7 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.9 13.9 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.47 -129.56 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.5 p -42.44 109.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' HB2' ' CG1' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -80.7 -4.73 55.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.78 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 18.0 m0 -71.72 -53.61 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.045 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.61 -42.35 17.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -54.5 -58.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.3 pt-20 -54.37 -44.99 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HD3' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -62.65 -54.8 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -36.73 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 5.3 m-85 -80.3 -34.5 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.553 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -63.59 -53.65 48.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -68.55 -7.82 35.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.797 ' CD1' HG11 ' A' ' 113' ' ' VAL . 5.3 tt -68.44 137.75 91.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.501 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 123.11 -13.77 8.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.26 123.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.46 -52.65 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -155.68 160.81 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.443 HG22 HG23 ' A' ' 98' ' ' ILE . 7.7 p -137.42 168.57 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.41 159.54 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.994 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.34 135.94 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.26 -164.73 15.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.557 1.161 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 0.9 OUTLIER -148.71 147.39 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.421 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.1 t -170.07 163.02 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.34 -12.98 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -98.64 -167.72 31.02 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -109.81 -36.14 5.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 63.8 m -55.24 115.1 8.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.32 16.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.58 ' OD1' ' CE1' ' A' ' 180' ' ' TYR . 8.9 m-20 60.36 62.24 3.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.02 169.74 21.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.495 ' CG2' ' CG ' ' A' ' 19' ' ' ASN . 20.5 p -122.81 150.51 42.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.95 -34.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -57.04 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 54.3 mt-10 -56.89 -49.8 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.9 -46.58 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.8 t -49.77 -42.61 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -68.86 -38.87 80.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.6 25.66 24.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 14.18 31.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 80.5 p -112.19 -25.15 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.68 -10.96 65.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 49.9 m-70 -78.26 146.8 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.558 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.07 175.16 6.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -70.45 121.47 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.0 152.82 42.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.205 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.994 HG12 ' HA ' ' A' ' 70' ' ' ALA . 5.1 m -140.39 147.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' CG ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -101.57 115.81 31.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.713 HD13 ' CD2' ' A' ' 59' ' ' PHE . 2.9 mp -108.96 129.57 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 44' ' ' ILE . 23.0 t -105.27 114.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CG ' HD11 ' A' ' 110' ' ' LEU . 19.0 p90 -130.81 165.13 23.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.37 135.78 19.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -12.52 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -89.51 -21.7 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' HA2' ' A' ' 64' ' ' GLY . 74.5 t -94.27 -63.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 110' ' ' LEU . 17.3 tt -117.03 155.78 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.3 p -108.12 142.93 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.4 p90 -46.35 -28.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.609 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -69.54 -40.75 76.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.17 -36.96 80.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 100' ' ' TYR . 32.2 mt -62.96 -45.88 90.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 12.4 mt -64.9 -36.46 84.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.2 83.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.797 HG11 ' CD1' ' A' ' 62' ' ' LEU . 2.6 t -68.02 -43.57 85.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.787 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -72.18 -23.8 61.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 26.7 m95 -76.08 -25.81 55.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.65 -0.02 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -124.28 21.78 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -169.68 145.53 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.57 141.45 23.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.06 9.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.63 48.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.93 -17.53 46.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.218 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.96 -155.67 48.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.1 mtt -85.3 48.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -155.96 155.15 32.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -143.26 112.68 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.11 -118.4 13.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.34 23.91 9.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -114.04 133.26 55.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.83 127.24 53.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.653 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 162.19 154.7 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.6 p -77.0 0.38 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -5.07 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -107.41 39.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.06 -179.62 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.2 m -127.76 116.1 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.15 159.09 44.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.6 HG22 ' HD3' ' A' ' 140' ' ' PRO . 52.9 mt -118.87 130.01 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.567 ' CD2' HG22 ' A' ' 46' ' ' ILE . 67.1 m-85 -116.11 81.81 10.65 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.99 160.37 40.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 176' ' ' ALA . 4.3 mp -117.69 -10.31 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.5 OUTLIER -121.69 162.1 38.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.444 ' HA ' ' OD2' ' A' ' 146' ' ' ASP . 18.5 Cg_endo -74.97 -39.32 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.48 -30.52 71.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.474 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.5 tt0 -72.92 -40.74 65.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 143' ' ' PRO . 3.2 m-20 -61.25 -49.64 76.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.91 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.69 97.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.15 50.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.499 ' HG2' HD13 ' A' ' 173' ' ' ILE . 4.2 mtt180 -67.16 -48.32 68.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.38 72.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.439 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 89.8 p -69.52 -33.36 72.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 153' ' ' LEU . 4.0 tt -67.84 -51.88 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.7 -40.59 95.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -60.14 -43.07 95.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 2.7 m-85 -72.2 -31.52 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 160' ' ' MET . 21.2 tt0 -52.1 -33.94 41.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.35 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.04 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.889 ' HA ' HG11 ' A' ' 205' ' ' VAL . 22.5 ptm -55.88 -36.22 67.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 165' ' ' ASP . 0.7 OUTLIER -59.41 -42.77 92.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.7 -23.44 64.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.13 5.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 16.9 t0 77.0 7.9 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.537 ' O ' HD12 ' A' ' 161' ' ' LEU . 13.1 m-20 -79.33 91.76 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.63 17.04 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 160.12 24.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -91.7 123.42 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.638 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.775 HG23 HG22 ' A' ' 171' ' ' THR . 7.7 mt -56.59 130.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 72.5 p -105.08 -22.98 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.775 HG22 HG23 ' A' ' 169' ' ' ILE . 10.5 t -64.17 134.75 55.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.499 HD13 ' HG2' ' A' ' 150' ' ' ARG . 3.2 mt -125.01 122.13 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.76 142.04 38.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -43.74 151.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -63.39 128.47 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.537 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.2 OUTLIER -102.6 -175.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.99 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 97' ' ' ARG . 7.0 p90 -81.98 149.79 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.58 ' CE1' ' OD1' ' A' ' 79' ' ' ASN . 40.6 m-85 -125.87 122.7 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -60.34 135.42 57.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.19 169.19 13.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.21 147.2 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.0 -33.08 74.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -40.8 63.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -90.86 -28.53 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.453 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -61.23 136.76 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.844 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 1.3 pt20 41.81 42.99 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.78 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 17.0 t80 -63.08 -57.88 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 57' ' ' ARG . 6.2 tp -53.61 -22.74 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 188' ' ' GLN . 9.9 m170 -73.16 -42.62 62.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.08 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.36 109.25 8.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -106.42 26.29 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -84.86 -160.26 32.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.62 131.9 49.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.4 -176.38 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 108.314 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 103.12 128.44 6.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.562 1.164 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 201' ' ' GLY . 7.7 tp -110.17 -56.09 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GLY . . . . . 0.533 ' N ' HG23 ' A' ' 200' ' ' ILE . . . 146.08 -163.0 28.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -110.74 100.76 1.28 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 204' ' ' GLY . 0.7 OUTLIER -128.96 168.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.444 ' H ' HG22 ' A' ' 203' ' ' ILE . . . 128.58 78.9 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.889 HG11 ' HA ' ' A' ' 160' ' ' MET . 71.8 t -110.71 127.82 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.97 179.28 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' A' ' 208' ' ' PRO . 0.5 OUTLIER -132.61 143.8 50.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' A' ' 207' ' ' LEU . 18.0 Cg_endo -75.09 122.25 7.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.54 4.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.01 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tp -109.89 -38.06 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.33 96.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -139.9 150.58 44.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -87.04 30.4 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -50.03 -24.3 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 105.88 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 9' ' ' VAL . 2.3 tm? -69.33 150.4 47.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.682 ' O ' HD13 ' A' ' 8' ' ' LEU . 11.3 p -75.18 169.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -99.57 179.01 1.12 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.01 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.29 -15.06 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.61 -14.64 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -49.37 139.93 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 5.5 mp -86.83 137.58 33.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.01 83.66 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' H ' HG23 ' A' ' 77' ' ' THR . . . -52.56 171.72 0.44 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.58 178.84 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -93.49 110.54 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -135.48 99.06 12.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 137.4 21.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.6 mtm -118.06 139.26 26.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.68 22.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -105.08 141.59 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.72 163.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 83.3 m -85.89 -42.41 14.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -123.88 176.76 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 58.7 t-80 -79.12 168.8 19.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.66 -64.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 191' ' ' HIS . 3.7 t -90.27 -47.7 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.535 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.1 -34.42 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 57.36 15.42 16.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -100.58 169.91 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.96 121.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -79.06 -52.57 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.3 p -66.15 -53.6 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.21 136.08 43.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' THR . 72.1 t -126.55 126.55 24.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.463 ' HG2' ' HE3' ' A' ' 42' ' ' MET . 18.6 Cg_endo -74.96 146.13 32.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.46 124.32 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.7 -21.87 33.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.487 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 27.9 tpp -81.19 153.34 27.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.48 165.47 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.837 HG12 HG22 ' A' ' 99' ' ' VAL . 5.9 mt -113.56 151.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.97 124.96 16.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 28.6 mt -105.17 130.1 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.4 m-85 -143.2 139.82 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.75 111.43 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.592 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 11.7 mmm -128.84 17.08 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 79.91 -124.35 6.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.6 p -41.89 109.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 34.8 p90 -85.59 -1.54 57.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.667 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.8 m0 -70.51 -60.54 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.46 -43.85 18.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' A' ' 58' ' ' LEU . 78.1 t -51.74 -51.27 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 66.6 tt0 -63.28 -34.23 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.62 -39.88 76.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -64.36 -44.0 92.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.3 m-85 -66.35 -37.33 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.07 -38.24 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -76.22 -0.73 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.4 mt -86.86 134.5 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.821 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 115.16 4.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.06 -5.67 10.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -95.44 115.42 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -70.6 -44.26 67.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -163.14 163.36 25.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -136.2 162.81 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.837 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.94 159.01 43.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB3' ' NE2' ' A' ' 187' ' ' GLN . . . -113.57 150.13 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.64 -177.07 41.75 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.472 1.108 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 2.9 p90 -133.09 151.47 52.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 9.5 t -170.62 171.46 6.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.07 -20.65 48.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.89 -172.45 43.97 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -111.08 -29.86 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 17' ' ' GLY . 28.5 m -54.38 123.48 43.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.04 137.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.4 m120 40.38 63.14 5.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 167.13 27.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -124.98 159.02 32.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.92 -48.75 60.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -54.61 -30.24 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -46.56 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.674 HG11 ' OE1' ' A' ' 94' ' ' GLU . 39.1 t -61.35 -49.59 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -42.07 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -50.18 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.667 ' O ' HG12 ' A' ' 9' ' ' VAL . . . 103.7 17.1 17.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.48 30.11 4.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -122.68 -35.49 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.668 ' HA2' HD11 ' A' ' 8' ' ' LEU . . . 81.45 -1.13 86.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.3 m-70 -84.81 144.1 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.726 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -99.51 175.18 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.674 ' OE1' HG11 ' A' ' 85' ' ' VAL . 75.1 mm-40 -90.38 118.14 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.12 157.24 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 69' ' ' ALA . 74.7 t -133.49 129.87 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 1.7 ttt180 -88.54 120.13 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.4 mp -114.19 139.14 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.837 HG22 HG12 ' A' ' 44' ' ' ILE . 57.4 t -120.98 114.46 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.582 ' CD2' HG23 ' A' ' 105' ' ' ILE . 13.5 p90 -137.49 165.38 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -104.6 138.5 19.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.82 20.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.2 t -88.49 -19.9 25.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.8 t -104.39 -60.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 100' ' ' TYR . 16.9 tt -121.26 157.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 157.7 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.0 p90 -61.81 -29.22 70.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 111' ' ' LEU . 1.4 tt0 -64.51 -41.81 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.38 -36.24 83.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.48 -39.56 85.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 108' ' ' GLU . 9.2 mt -62.62 -38.55 90.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.88 -44.33 82.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.625 HG11 HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -62.07 -51.78 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -53.66 -34.61 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 156' ' ' PHE . 6.7 m0 -65.18 -33.23 75.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 107.963 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.19 8.2 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 9.6 m-80 -125.95 8.04 7.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 49' ' ' MET . 0.1 OUTLIER -170.76 169.22 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.595 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.788 ' HB2' HG21 ' A' ' 203' ' ' ILE . 27.5 t70 -123.43 140.72 34.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.6 Cg_endo -74.98 -0.32 9.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.35 50.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 136' ' ' SER . 0.0 OUTLIER -77.19 -19.86 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.16 -158.14 45.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.636 ' HG3' HG22 ' A' ' 132' ' ' THR . 0.0 OUTLIER -88.18 42.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 0.805 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER 179.8 148.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -137.9 121.27 17.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.51 -115.36 7.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -106.11 6.59 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 8.8 m-20 -111.49 131.02 55.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 0.4 OUTLIER -114.02 154.78 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.545 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 129.28 162.63 10.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.636 HG22 ' HG3' ' A' ' 124' ' ' MET . 68.7 p -81.9 1.58 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.626 ' NE2' HD23 ' A' ' 8' ' ' LEU . 3.2 mp0 -87.89 5.15 41.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 89.2 m-85 -125.1 19.42 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -74.99 164.13 26.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.452 ' N ' ' OE1' ' A' ' 122' ' ' GLN . 21.7 t -99.16 105.5 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.27 142.41 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.526 HG22 ' HD3' ' A' ' 140' ' ' PRO . 6.1 mt -109.86 132.66 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -124.61 86.06 55.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.07 171.16 18.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.0 mm? -115.77 -9.29 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.4 p -124.07 160.68 51.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.81 10.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.45 -33.16 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.34 -31.15 62.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -47.22 63.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.85 -37.64 82.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.06 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.73 45.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.68 -41.26 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -53.91 -36.66 62.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 3.3 p -74.15 -39.42 63.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -57.46 -51.69 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 151' ' ' ALA . 7.0 pt-20 -58.49 -33.67 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -77.07 -41.55 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CD2' ' CE2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -55.12 -44.35 74.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.89 -41.21 61.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.204 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.29 54.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.09 -56.23 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.539 ' HA ' HG11 ' A' ' 205' ' ' VAL . 4.7 ptm -64.51 -34.48 78.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.34 -37.58 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.77 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.09 -3.8 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 81.95 27.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.43 98.93 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.33 -5.95 57.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' CE ' ' A' ' 160' ' ' MET . 26.1 mmm-85 -56.04 159.9 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.05 129.31 46.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.672 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 171' ' ' THR . 1.8 pt -67.08 121.58 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -91.86 4.99 51.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 169' ' ' ILE . 8.8 t -82.07 150.24 27.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 156.01 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.422 ' CG1' ' HB ' ' A' ' 138' ' ' ILE . 1.7 mp -122.44 132.03 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.88 162.49 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -50.5 155.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.24 13.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 23.1 p -88.49 161.26 42.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.33 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -80.34 150.15 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.067 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 38.8 m-85 -107.71 136.25 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.15 141.21 58.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.99 167.79 12.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.3 146.09 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.417 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 5.6 p-10 -58.08 -35.81 71.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -27.08 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 12.4 m170 -91.06 -32.47 15.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.569 ' NE2' ' HB3' ' A' ' 70' ' ' ALA . 81.7 mm-40 -56.35 129.52 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.237 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.561 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 12.9 mp0 44.32 48.88 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.559 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 6.6 t80 -61.7 -52.36 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.615 1.197 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -48.86 -26.37 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.675 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.09 -38.03 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 192' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -67.14 -33.04 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.33 108.02 19.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.73 16.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -106.27 16.3 25.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -72.82 -167.48 10.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.718 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.9 m-85 -55.41 118.24 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.8 p -124.14 -170.67 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 87.9 72.29 1.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 4.2 tp -107.49 149.95 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 117' ' ' ASN . . . 72.22 -123.51 9.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 83.81 -11.44 56.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.788 HG21 ' HB2' ' A' ' 119' ' ' ASP . 5.6 tp -130.2 164.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.572 0.807 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 130.63 82.32 0.26 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 160' ' ' MET . 10.8 p -70.39 152.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 2.5 m -117.97 150.36 39.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.2 OUTLIER -73.25 -53.28 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.2 Cg_endo -75.01 155.75 42.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 160.51 39.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.12 137.01 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.96 -44.63 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -139.74 158.75 43.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -127.12 49.16 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.381 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 30.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -10.51 59.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -62.89 137.09 58.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -124.6 169.67 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.16 160.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.74 171.41 5.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -42.74 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.29 -13.54 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.32 -36.5 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.88 156.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 153.42 94.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -4.27 15.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.57 -173.0 0.82 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -138.85 149.22 44.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -66.95 91.13 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.9 m -127.07 99.19 28.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 139.22 23.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -110.9 138.15 21.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -75.08 147.58 33.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.28 141.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 157.37 13.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.443 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -81.99 -36.38 27.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.472 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 26' ' ' THR . 12.2 mt -138.89 151.49 46.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.4 t-80 -54.29 166.85 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.613 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.22 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.88 -48.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.42 -29.24 65.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.32 21.1 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -99.55 168.23 10.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 m -73.18 123.23 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -41.07 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -69.18 -51.29 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.25 129.63 42.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.227 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -124.34 118.42 26.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 149.24 36.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.51 130.98 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 95.55 -24.09 30.93 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 44.4 tpp -71.0 144.16 50.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 6.0 tt0 -139.82 159.76 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.848 HG12 HG22 ' A' ' 99' ' ' VAL . 4.4 mt -111.88 154.9 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -140.45 125.55 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 139' ' ' TYR . 10.1 mt -93.48 124.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 29.0 m-85 -136.76 151.7 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -134.27 110.38 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -132.35 37.04 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 73.03 -129.34 12.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.688 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.0 m -41.17 110.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.725 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -85.73 -10.46 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.725 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -62.65 -56.61 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.48 -46.92 11.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.2 t -50.67 -58.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -35.17 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 52.0 ttt-85 -70.86 -43.85 67.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.7 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -54.12 -55.06 31.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.526 ' CG ' HG12 ' A' ' 98' ' ' ILE . 27.5 m-85 -61.97 -33.89 75.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.61 -40.98 98.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.507 HE21 ' HB3' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -78.91 -22.25 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.938 ' CD1' HG11 ' A' ' 113' ' ' VAL . 14.5 mt -59.14 134.89 87.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 113.51 3.8 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 123.28 -5.36 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 59' ' ' PHE . 88.0 t -93.76 117.18 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.0 t80 -73.5 -43.04 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.165 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -171.01 162.06 7.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -128.96 168.54 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.46 152.21 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -110.31 139.29 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -170.08 -171.15 35.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.18 151.04 52.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.507 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.9 t -166.78 164.78 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -22.72 17.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.07 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.53 -178.9 35.3 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -105.39 -27.18 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -51.0 118.15 9.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.05 13.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 8.7 m120 53.18 63.77 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.07 163.68 34.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 85' ' ' VAL . 77.6 p -122.36 154.84 37.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -51.27 -42.46 61.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -48.46 77.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HB3' HG21 ' A' ' 90' ' ' THR . 29.0 mt-10 -56.95 -49.94 74.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.4 t -58.97 -46.08 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.98 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -50.03 45.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.74 18.72 22.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.575 1.172 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -100.03 16.47 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 84' ' ' GLU . 59.9 p -116.76 -35.02 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.21 -10.66 72.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 66.7 m-70 -64.77 147.06 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.06 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.8 mt-10 -73.13 119.23 17.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.74 153.21 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.0 m -142.98 141.41 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.692 ' NE ' HG21 ' A' ' 44' ' ' ILE . 1.5 mtt180 -89.92 130.9 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.526 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -116.71 123.83 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.848 HG22 HG12 ' A' ' 44' ' ' ILE . 45.0 t -101.28 114.59 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.459 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 20.1 p90 -131.2 161.3 32.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 137.0 20.05 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.6 Cg_endo -74.99 -7.72 19.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -88.0 -14.46 39.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.4 t -114.99 -62.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 15.3 tt -113.39 165.5 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' A' ' 105' ' ' ILE . 98.4 p -114.55 167.32 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.921 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.0 p90 -70.55 -40.56 73.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.833 ' HA ' HD12 ' A' ' 111' ' ' LEU . 6.7 pt-20 -62.29 -34.1 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.1 mt-30 -62.22 -44.71 95.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.94 -48.42 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 108' ' ' GLU . 6.0 mt -54.92 -45.87 74.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -61.06 -37.83 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.938 HG11 ' CD1' ' A' ' 62' ' ' LEU . 30.9 t -62.53 -39.09 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -61.37 -38.74 88.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.834 ' CH2' HD11 ' A' ' 138' ' ' ILE . 2.4 m95 -86.33 -22.24 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' GLN . 4.7 mt-10 -92.79 0.94 57.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 21.9 t-20 -111.22 -47.72 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 126' ' ' GLN . 3.3 t-160 -142.74 167.14 22.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 123.6 68.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.96 1.4 7.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -109.35 50.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -106.88 -5.66 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.483 ' N ' HG21 ' A' ' 170' ' ' THR . . . 63.02 -142.8 48.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 44.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.92 156.88 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 118' ' ' HIS . 43.5 tp60 -139.91 110.89 6.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.89 -114.75 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -103.84 16.28 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.84 144.17 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -120.02 146.96 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.24 149.99 5.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.9 m -72.69 -6.1 42.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.773 . . . . 0.0 110.446 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 85' ' ' VAL . 17.7 mp0 -91.68 -3.43 56.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.469 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 51.6 m-85 -113.95 54.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.9 179.33 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -113.78 121.96 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.33 145.48 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.834 HD11 ' CH2' ' A' ' 115' ' ' TRP . 85.4 mt -115.28 138.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 46' ' ' ILE . 31.1 m-85 -132.08 83.48 56.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.0 166.15 29.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.93 -21.98 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.208 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.5 p -108.09 160.8 25.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -75.68 -36.72 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 54.3 tt0 -65.6 -37.8 87.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -65.08 -50.47 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.97 -37.02 75.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.5 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -74.2 -34.32 63.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.497 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -67.82 -54.75 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -65.98 -30.18 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -71.82 -33.99 68.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 54.2 p -77.49 -25.71 50.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.772 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -67.27 -49.37 64.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.635 ' N ' HD23 ' A' ' 153' ' ' LEU . 12.2 pt-20 -67.61 -36.73 81.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 160' ' ' MET . 10.9 t80 -71.47 -35.63 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.18 -44.32 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.36 -34.16 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -54.09 -56.57 16.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 156' ' ' PHE . 3.2 ptt? -64.52 -37.08 86.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 161' ' ' LEU . 3.6 tp -51.28 -45.88 62.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.11 -24.47 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -87.99 7.11 32.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.0 t0 75.04 18.97 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.64 94.08 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 19.84 5.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.99 162.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -93.27 129.8 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.545 HD11 ' HD2' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -76.37 113.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.483 HG21 ' N ' ' A' ' 123' ' ' GLY . 16.7 p -94.17 -28.9 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 169' ' ' ILE . 0.0 OUTLIER -41.82 132.92 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -134.31 130.46 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.443 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 2.9 mt -106.91 132.06 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.53 162.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -49.1 141.03 8.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.5 118.32 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.507 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.7 OUTLIER -82.88 167.08 32.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.5 Cg_endo -74.9 80.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.568 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 25.6 p90 -61.13 150.59 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.43 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 20.5 m-85 -124.41 120.22 31.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.84 118.7 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -76.24 170.13 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 153.9 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.94 -33.15 74.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -35.55 49.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.86 -45.9 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 6.4 mt-30 -51.15 132.61 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 47.36 47.57 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.62 ' CE1' ' CE3' ' A' ' 53' ' ' TRP . 21.8 t80 -63.99 -51.24 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -49.81 -24.8 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.29 -39.55 47.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -37.5 79.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.6 94.43 48.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.17 20.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -100.03 -4.32 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -58.78 -157.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.562 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -86.89 130.35 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.81 32.42 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -110.43 94.42 0.79 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.47 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -72.18 146.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.348 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -47.33 -95.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 155.84 142.03 3.33 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.516 HG23 ' N ' ' A' ' 204' ' ' GLY . 0.0 OUTLIER -123.46 -56.04 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.446 0.733 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.516 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 32.32 81.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.483 1.115 . . . . 0.0 111.08 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 203' ' ' ILE . 1.2 t -140.5 136.63 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 0.729 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.57 98.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.2 OUTLIER -52.59 -46.47 95.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.2 Cg_endo -74.98 143.87 29.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.4 Cg_endo -74.95 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.566 1.824 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 149.35 47.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' ' 130' ' ' HIS . 77.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -41.63 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.44 158.31 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.401 1.063 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -93.11 56.24 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -87.29 26.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -40.65 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 112.98 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tp -80.56 137.55 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.6 162.6 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -99.89 173.83 3.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.967 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.1 Cg_endo -75.07 -43.85 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.86 -29.98 61.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.53 -32.47 42.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -50.63 146.07 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 89' ' ' ASP . 20.6 mt -62.63 155.66 68.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 179.36 49.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.52 158.11 25.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -85.11 79.29 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.94 104.39 3.2 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 135.54 19.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.7 mmt -87.27 124.49 68.17 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.46 27.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.7 t -118.64 152.73 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.79 158.18 18.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 35.4 m -81.28 -38.02 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' THR . 16.3 mt -132.3 154.31 49.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.0 t-80 -57.65 171.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.863 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -71.75 -64.59 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.4 t -91.66 -52.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 17.5 m120 -57.65 -25.87 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 40.32 28.85 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASN . 3.0 m-70 -100.43 159.68 14.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 0.744 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -44.68 119.46 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -48.39 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.4 p -89.24 -51.46 5.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.73 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 56.9 t -118.88 124.53 28.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.92 37.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.22 126.41 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.25 -9.23 49.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.495 ' HB3' HG13 ' A' ' 38' ' ' VAL . 27.9 tpp -95.98 146.76 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -132.43 164.85 25.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.833 HG12 HG22 ' A' ' 99' ' ' VAL . 4.6 mt -115.51 155.56 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.796 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -141.95 128.06 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.205 HG21 ' CE1' ' A' ' 179' ' ' PHE . 3.8 mp -113.44 132.23 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.796 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -149.45 146.64 27.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.53 122.93 47.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.482 ' HE3' ' HA ' ' A' ' 114' ' ' PHE . 3.2 mtp -142.19 46.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 126' ' ' GLN . . . 63.99 -131.89 39.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -42.55 111.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 1.8 p90 -83.62 -8.94 59.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 189' ' ' TYR . 37.3 m0 -70.3 -54.16 13.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.01 -37.15 44.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 51' ' ' CYS . 93.3 t -65.26 -57.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt0 -55.08 -30.32 59.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.625 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.8 ttt180 -59.6 -55.08 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.022 HD11 HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD1' HG12 ' A' ' 98' ' ' ILE . 3.2 m-85 -66.3 -52.19 49.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.626 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -67.41 -39.93 85.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.054 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.12 0.08 20.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.85 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -77.0 129.64 77.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.99 108.62 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.05 -3.24 6.84 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 68' ' ' THR . 2.8 t -98.89 123.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -71.57 -44.53 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 m -165.32 161.69 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 98' ' ' ILE . 80.6 p -134.44 167.31 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -158.29 149.28 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.557 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -103.85 145.75 29.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.03 -172.45 31.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -127.16 153.17 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 179' ' ' PHE . 10.9 t -170.56 173.94 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.16 -8.22 72.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.21 -173.17 19.16 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -110.2 -31.38 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -51.46 117.72 9.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 138.14 22.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 0.8 OUTLIER 46.82 64.15 8.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.06 161.25 38.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.767 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 t -125.07 163.86 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -57.23 -41.77 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -54.14 50.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 81' ' ' THR . 69.2 mt-10 -61.84 -49.29 76.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 81' ' ' THR . 93.9 t -53.7 -49.39 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.5 t -51.49 -39.12 56.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -49.77 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.46 20.5 10.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.504 ' HB2' HD12 ' A' ' 15' ' ' LEU . 25.0 m-20 -99.43 19.6 15.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 20.3 p -115.35 -32.07 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.95 2.79 87.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 89.5 m-70 -91.63 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.83 174.96 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -81.0 115.51 20.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.34 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 69' ' ' ALA . 18.9 t -150.07 134.98 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.57 120.67 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.364 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.569 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.2 mp -115.26 133.6 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.833 HG22 HG12 ' A' ' 44' ' ' ILE . 95.6 t -111.47 114.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -131.3 164.69 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.98 138.79 22.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -74.92 -3.03 13.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -19.21 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.062 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' A' ' 64' ' ' GLY . 66.8 t -108.22 -61.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 tt -113.41 168.44 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -124.68 153.1 42.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 5.2 p90 -57.25 -27.5 62.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 24.7 tt0 -66.57 -40.67 89.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.87 -45.5 85.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 21.9 mt -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 57.1 mt -57.09 -43.06 81.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.577 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 11.8 tt0 -61.14 -36.06 78.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.022 HG13 HD11 ' A' ' 58' ' ' LEU . 2.3 t -64.27 -44.47 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 7.0 m-30 -49.85 -52.09 35.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -67.39 -35.46 79.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 108.018 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.19 3.56 20.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.74 ' C ' HD21 ' A' ' 117' ' ' ASN . 0.2 OUTLIER -112.89 -44.69 3.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -165.09 169.99 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.8 144.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.44 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.52 50.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 123' ' ' GLY . 0.0 OUTLIER -100.01 20.27 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.562 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 48.63 -134.71 20.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.71 61.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.95 160.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.464 ' CB ' ' HA3' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -145.68 132.21 19.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.581 1.175 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.39 -130.41 44.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -91.78 12.77 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.1 m-20 -106.92 130.87 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 1' ' ' SER . 42.1 m80 -119.77 144.8 47.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.27 158.52 8.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 132' ' ' THR . 5.7 m -78.34 -1.06 31.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.471 0.747 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.79 -11.05 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 26.0 m-85 -104.07 52.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -94.47 -175.25 3.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.8 t -117.33 125.59 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.25 150.51 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 ' CE1' ' A' ' 47' ' ' PHE . 25.9 mt -125.01 130.58 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -121.26 84.7 41.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -74.99 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 176' ' ' ALA . 3.7 mm? -119.32 -36.06 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.428 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 58.9 p -91.63 161.52 33.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -27.35 10.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.16 -32.74 61.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -72.0 -39.1 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 142' ' ' THR . 2.7 m-20 -59.34 -50.09 75.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.05 81.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -62.7 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . . . -58.05 -54.11 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.241 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -63.15 -37.05 85.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.51 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 13.0 p -77.99 -33.33 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.049 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.9 tt -57.67 -51.14 70.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.54 -34.03 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -69.05 -42.59 76.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -63.1 -42.25 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.45 -37.76 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.15 -43.42 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.85 -53.42 56.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 167' ' ' ARG . 17.5 mtp -58.05 -48.44 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 165' ' ' ASP . 2.1 mp -56.78 -39.38 73.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.63 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -91.77 9.0 34.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.22 24.2 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.6 OUTLIER -106.31 104.69 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.76 15.13 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.424 ' HB3' ' HE3' ' A' ' 160' ' ' MET . 3.7 tpt180 -50.55 145.81 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -91.97 121.38 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.599 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.487 ' CG2' HG22 ' A' ' 171' ' ' THR . 63.7 mt -63.13 130.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.562 HG21 ' HA2' ' A' ' 123' ' ' GLY . 73.8 p -116.57 14.94 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.487 HG22 ' CG2' ' A' ' 169' ' ' ILE . 2.6 t -86.88 146.63 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.85 142.45 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.91 127.96 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.9 161.78 39.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -49.85 161.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -78.88 127.44 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.524 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 7.1 p -100.3 171.26 5.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -75.01 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 1.205 ' CE1' HG21 ' A' ' 46' ' ' ILE . 4.1 m-85 -69.0 148.9 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -109.7 125.95 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.22 136.59 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.93 169.27 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.72 135.41 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.3 -30.04 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -36.81 70.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -85.61 -48.57 8.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.557 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 33.8 mt-30 -50.13 130.84 23.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 1.3 mp0 65.07 39.32 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.634 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 11.7 t80 -59.93 -57.26 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.25 -23.89 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.863 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.78 -46.28 38.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.61 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -56.78 -37.69 71.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -135.43 104.4 10.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.65 21.34 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -103.33 8.13 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.81 -155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.518 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 0.0 OUTLIER -100.22 119.93 39.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.763 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.3 p -113.83 -169.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 179.05 -38.0 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.64 HD12 ' ND2' ' A' ' 117' ' ' ASN . 16.4 tt -50.52 149.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 106.27 34.42 3.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.81 -79.53 0.14 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 170.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 128.71 68.0 0.12 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.424 1.078 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 17.8 t -69.64 130.6 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.96 177.38 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.45 160.1 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 166.83 28.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.43 24.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 149.78 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.227 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.51 -28.88 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -68.94 157.29 36.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.07 148.87 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -7.81 49.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -86.45 9.63 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -60.2 139.81 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.6 pt? -50.02 166.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 9.3 p -41.51 151.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.14 171.75 10.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.52 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.807 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.08 -26.84 60.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.13 -36.17 27.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.01 145.87 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.94 155.07 92.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.58 12.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.0 -165.68 14.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -127.38 176.09 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -96.45 70.97 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 p -121.61 99.41 45.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.84 29.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmt -94.28 138.07 22.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.68 29.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.96 149.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.99 166.31 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.8 m -77.5 -45.08 26.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 mt -115.38 157.34 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.11 170.93 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.8 -63.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.714 HG22 ' ND1' ' A' ' 191' ' ' HIS . 5.5 t -91.34 -52.55 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.57 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 11.0 m120 -56.94 -28.79 62.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.23 20.87 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.416 1.073 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -100.37 170.22 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 0.729 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -60.99 119.95 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.11 -55.03 5.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 p -76.29 -42.86 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.74 129.71 37.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.053 HG21 HD11 ' A' ' 44' ' ' ILE . 58.6 t -120.82 121.51 28.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 42' ' ' MET . 18.4 Cg_endo -75.01 140.37 25.35 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.44 141.75 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.93 -32.43 5.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -114.46 158.45 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' HG21 ' A' ' 142' ' ' THR . 4.9 pt-20 -126.85 174.71 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.053 HD11 HG21 ' A' ' 38' ' ' VAL . 6.5 mt -105.25 148.57 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -133.57 126.99 32.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 179' ' ' PHE . 3.7 mp -109.71 136.66 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.638 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 23.8 m-85 -147.61 144.17 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -114.85 120.71 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 55' ' ' VAL . 1.4 ttm -138.13 11.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 94.48 -128.34 9.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.3 p -41.86 110.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 31.0 p90 -85.94 -2.29 58.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.747 ' HB3' HD23 ' A' ' 190' ' ' LEU . 40.0 m0 -70.2 -60.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.96 -44.42 14.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' CYS . 77.3 t -52.68 -57.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 6.1 tt0 -60.79 -33.71 73.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -69.53 -38.21 77.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.47 -33.09 48.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -66.03 -53.7 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.765 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -68.01 -14.82 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.81 0.31 27.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -87.53 141.53 32.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 108.07 2.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.82 -2.78 6.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 60' ' ' TRP . 49.5 t -85.25 111.71 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 1.4 t80 -70.5 -43.64 69.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.13 165.03 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.494 ' CG2' HG11 ' A' ' 65' ' ' VAL . 67.9 p -149.35 143.55 25.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 160.3 40.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -112.85 140.76 47.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -158.86 -168.68 21.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.62 151.18 51.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 179' ' ' PHE . 10.0 t -167.44 168.96 12.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.2 -20.83 30.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -106.86 179.35 22.48 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -99.64 -26.49 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.422 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 46.1 m -50.99 114.09 4.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.5 13.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 180' ' ' TYR . 25.1 m-20 48.83 64.15 9.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.98 166.51 29.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.553 1.818 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 ' OE1' ' A' ' 84' ' ' GLU . 30.9 p -117.79 156.64 27.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.6 t80 -51.14 -39.32 56.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -52.7 39.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' HG23 ' A' ' 81' ' ' THR . 67.6 mt-10 -56.47 -47.77 78.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.597 HG12 ' OE1' ' A' ' 133' ' ' GLN . 78.1 t -63.64 -44.47 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -30.99 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -50.15 44.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 105.89 7.2 36.44 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.81 17.69 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -25.71 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.41 0.36 66.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 87.7 m-70 -87.38 155.36 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.668 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.07 173.3 8.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 2.0 tm-20 -75.8 117.99 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.01 158.88 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 70' ' ' ALA . 2.0 m -142.13 153.59 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.602 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -101.75 137.35 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 97' ' ' ARG . 5.2 mp -133.42 116.45 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG22 HG12 ' A' ' 44' ' ' ILE . 3.4 t -98.99 119.18 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -137.01 165.32 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.69 135.29 20.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -75.03 -9.43 20.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -89.71 -18.12 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.4 t -108.27 -56.46 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 tt -117.16 163.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -115.11 153.54 30.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 11.3 p90 -61.93 -27.35 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.8 tm-20 -65.74 -37.78 87.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.9 -39.54 87.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 100' ' ' TYR . 45.8 mt -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.529 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 5.0 mt -72.87 -33.24 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -60.59 -40.58 92.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.29 -35.37 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.39 -49.8 71.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.761 ' O ' HG21 ' A' ' 203' ' ' ILE . 0.0 OUTLIER -74.68 -23.46 58.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.977 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -92.19 5.73 49.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.709 ' ND2' HD13 ' A' ' 58' ' ' LEU . 11.6 t-20 -116.15 -34.83 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.556 ' HA ' HG22 ' A' ' 203' ' ' ILE . 75.2 t60 -170.11 168.52 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.33 140.63 22.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.577 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -75.04 0.65 8.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -104.22 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -14.98 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.78 -143.97 44.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.4 mtt -86.59 46.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.407 0.71 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 143.59 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -130.07 150.93 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.93 -128.34 25.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -103.75 15.67 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 1.2 p30 -113.94 145.22 41.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.562 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.82 157.21 7.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 132' ' ' THR . 5.6 m -78.8 0.13 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.597 ' OE1' HG12 ' A' ' 85' ' ' VAL . 10.7 tt0 -95.05 -22.83 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 129' ' ' ASP . 29.9 m-85 -91.28 43.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -88.65 -177.69 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.72 136.95 54.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.41 144.82 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 111' ' ' LEU . 22.4 mt -117.44 124.34 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -115.02 87.75 15.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 162.04 37.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' CB ' ' A' ' 176' ' ' ALA . 1.7 mp -110.84 -24.81 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.488 HG21 ' OE1' ' A' ' 43' ' ' GLU . 8.3 p -109.83 162.37 20.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.87 11.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.9 -32.58 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 149' ' ' ALA . 53.8 tt0 -74.49 -32.0 62.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -51.41 44.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.1 89.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.69 -41.05 65.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 145' ' ' GLN . . . -57.89 -52.99 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -32.7 74.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.67 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.8 p -78.61 -32.03 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.7 tt -64.13 -52.13 60.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.06 78.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -66.81 -43.6 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.577 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 8.6 t80 -61.73 -38.18 86.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -51.67 -40.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.98 32.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -62.24 -56.79 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -56.13 -36.06 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -58.67 -39.95 82.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.91 67.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -81.99 1.21 36.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.17 31.69 5.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.43 118.86 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.63 16.4 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 8.1 mmt180 -89.77 87.96 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 62.0 t-80 -59.71 129.06 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.658 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -52.29 134.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -105.91 -18.76 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 12.4 t -45.35 131.97 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 129.74 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.3 133.32 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.59 155.27 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.06 146.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 141' ' ' LEU . . . -64.12 117.95 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.618 ' O ' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -89.69 169.13 13.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -84.68 138.75 32.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 0.9 OUTLIER -104.43 130.73 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.436 ' OH ' ' NH2' ' A' ' 97' ' ' ARG . 58.6 m-85 -60.89 135.87 57.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.87 170.01 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.17 156.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -40.97 96.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -38.77 40.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 72.4 m-70 -79.09 -46.67 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.8 117.38 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 50.27 58.05 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.5 t80 -74.25 -35.47 63.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -68.66 -13.82 62.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.714 ' ND1' HG22 ' A' ' 30' ' ' VAL . 19.0 t60 -82.62 -37.44 24.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -24.97 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.27 113.41 8.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.93 13.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -108.49 14.84 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.38 -154.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.46 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.8 OUTLIER -73.17 111.48 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 0.728 . . . . 0.0 110.995 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.27 163.35 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 177.14 -41.2 0.1 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.488 HD11 ' OD1' ' A' ' 117' ' ' ASN . 15.8 tt -56.39 148.79 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 144.77 53.78 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.18 139.45 2.71 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 203' ' ' ILE . 0.2 OUTLIER -128.69 -44.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 203' ' ' ILE . . . 64.02 58.13 11.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 207' ' ' LEU . 73.1 t -137.5 151.22 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 0.697 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 86.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 208' ' ' PRO . 0.7 OUTLIER -80.32 -58.5 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -74.95 162.92 36.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.4 1.737 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 127.44 10.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.92 140.92 51.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.223 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tp -109.96 15.03 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -87.07 116.65 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -139.97 87.54 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -87.3 30.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.2 10.1 30.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 132' ' ' THR . 16.3 m80 -67.84 -54.32 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.9 161.09 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -132.62 158.03 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.89 167.15 13.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.07 -43.06 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.73 -15.49 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.66 -35.4 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.7 151.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD12 ' NH1' ' A' ' 18' ' ' ARG . 1.1 mm? -56.49 109.35 1.62 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 71.89 4.84 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.35 166.16 29.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.553 ' NH1' HD12 ' A' ' 15' ' ' LEU . 1.1 tpt180 -169.42 173.07 6.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -49.31 172.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.814 HG23 ' HD2' ' A' ' 21' ' ' PRO . 1.7 m -67.2 148.24 98.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.814 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.5 Cg_endo -74.99 151.12 39.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 22' ' ' MET . 2.5 mpp? -61.79 152.4 76.02 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 159.67 40.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.563 1.823 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -101.86 150.76 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.41 166.95 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 ' HG ' ' A' ' 27' ' ' LEU . 4.0 m -77.65 -45.06 26.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.738 ' HG ' HG22 ' A' ' 26' ' ' THR . 4.7 mt -135.97 165.24 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.546 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -55.29 167.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 188' ' ' GLN . . . -71.67 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 10.4 t -90.69 -47.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.546 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.74 -29.62 66.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 48.68 22.02 2.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t60 -100.53 170.11 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 109.58 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -49.35 125.84 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 2.2 mmt -79.38 -48.83 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 p -92.97 -49.7 5.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.32 126.63 21.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 44' ' ' ILE . 8.6 t -120.47 125.18 27.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.82 38.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.94 137.41 57.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.3 6.58 58.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.405 ' HB2' HG13 ' A' ' 38' ' ' VAL . 22.8 mmt -111.83 169.43 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -149.87 162.73 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 99' ' ' VAL . 10.5 mt -119.24 151.01 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.85 124.14 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.443 HG23 ' HB1' ' A' ' 95' ' ' ALA . 2.3 mp -90.04 126.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' HD2' HD13 ' A' ' 98' ' ' ILE . 2.0 m-85 -131.37 140.49 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -127.34 109.49 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 6.1 mtp -135.53 32.27 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -129.69 9.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -43.42 108.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 35.0 p90 -82.46 -3.18 55.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 45.8 m0 -71.15 -51.82 22.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.1 -30.7 54.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 51' ' ' CYS . 44.4 t -69.86 -57.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 16.6 pt-20 -51.92 -48.14 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -71.39 -26.42 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.736 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -68.92 -37.85 79.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 98' ' ' ILE . 18.0 m-85 -84.19 -35.0 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -51.57 67.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.23 -17.64 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.076 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -68.62 137.94 90.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.733 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.95 119.67 5.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.84 -11.86 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 68' ' ' THR . 71.0 t -95.08 114.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -68.9 -39.54 79.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -169.19 164.44 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 33.9 p -140.22 154.63 46.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -142.52 146.88 35.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -98.47 149.97 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.5 -173.01 36.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 1.3 p90 -136.83 146.77 46.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.408 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 11.3 t -168.79 163.06 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.363 1.039 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.19 -17.48 19.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.1 -157.87 33.47 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 54.7 m-85 -119.48 -33.87 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 42.2 m -55.43 130.05 69.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.548 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 39.76 65.27 3.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.13 169.06 23.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 85' ' ' VAL . 25.7 m -91.85 163.03 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -69.51 -32.73 71.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -63.59 -39.19 93.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.402 1.064 . . . . 0.0 110.25 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 20.4 mt-10 -69.32 -45.36 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' THR . 88.7 t -54.58 -50.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.93 -41.97 59.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 108.259 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -63.97 -48.46 76.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.073 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.2 29.49 7.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -13.81 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 5.1 p -94.69 -33.67 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.67 60.8 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.598 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 68.8 m-70 -57.75 140.9 50.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.62 153.05 22.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.96 114.49 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 46' ' ' ILE . . . -125.14 168.31 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 43.8 t -147.72 133.56 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 1.2 ttm180 -84.9 122.36 29.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.2 mp -108.36 127.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 44' ' ' ILE . 46.0 t -112.11 120.94 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 p90 -149.89 166.21 30.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -107.38 136.81 19.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.7 Cg_endo -74.99 1.06 8.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -18.63 25.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.5 t -113.36 -60.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 16.4 tt -105.08 162.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 p -125.27 161.95 25.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 145' ' ' GLN . 26.9 m-85 -55.31 -39.29 69.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -42.54 95.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -61.98 -35.06 77.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 34.5 mt -75.32 -34.66 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.455 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 35.2 mt -75.45 -42.72 52.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 115' ' ' TRP . 2.7 pt20 -55.77 -40.61 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -70.9 -36.23 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 138' ' ' ILE . 6.2 t80 -45.78 -52.44 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -76.51 -33.57 58.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -7.19 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.736 ' ND2' HD13 ' A' ' 58' ' ' LEU . 13.0 t-20 -117.99 -50.34 2.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 16.4 t60 -144.0 130.27 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 18.4 p-10 -74.26 142.96 79.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.1 Cg_endo -75.05 0.15 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.04 47.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.45 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 1.2 tt0 -95.54 -18.14 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.467 ' H ' HG21 ' A' ' 170' ' ' THR . . . 86.26 -171.44 44.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 mtp -74.6 59.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 0.72 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 160.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -135.71 124.61 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.01 -116.14 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -97.42 2.94 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.93 116.79 30.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.33 144.56 34.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.49 164.86 12.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 7' ' ' HIS . 30.3 p -83.0 -3.66 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -97.63 -7.77 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -109.3 39.57 2.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -100.01 164.53 11.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 110.213 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 59.9 p -88.51 136.87 32.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.0 135.02 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.795 HD11 ' CE2' ' A' ' 114' ' ' PHE . 13.8 mt -112.76 120.66 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.438 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.9 m-85 -116.55 85.08 15.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.46 41.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -26.58 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.42 HG21 ' OH ' ' A' ' 107' ' ' TYR . 74.3 p -103.6 161.01 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.28 10.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.0 -32.32 61.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.573 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 45.9 tt0 -70.03 -44.9 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -48.38 76.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.66 97.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.09 87.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.69 -54.07 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -61.45 -39.61 91.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.11 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -63.34 -42.42 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.695 HD12 ' CG2' ' A' ' 171' ' ' THR . 9.9 tt -61.2 -52.22 65.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.85 -34.55 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -40.28 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 88.2 t80 -59.91 -42.4 93.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.48 ' O ' HD13 ' A' ' 161' ' ' LEU . 5.5 tt0 -51.68 -39.5 58.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.88 37.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.97 -56.65 16.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.451 ' SD ' HD13 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -60.28 -33.88 72.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 157' ' ' GLN . 1.6 mp -63.42 -43.0 98.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 208' ' ' PRO . . . -65.3 -18.74 65.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.11 -2.67 58.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 10.2 t0 79.09 25.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 161' ' ' LEU . 41.2 m-20 -109.72 108.71 19.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.98 16.58 8.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 132.87 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -82.98 126.37 32.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 171' ' ' THR . 2.7 mt -67.4 129.01 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.467 HG21 ' H ' ' A' ' 123' ' ' GLY . 15.0 t -104.91 -29.52 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.695 ' CG2' HD12 ' A' ' 153' ' ' LEU . 2.1 t -41.72 133.26 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.6 133.34 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.1 mt -107.54 118.0 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.27 156.76 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.95 141.39 28.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -49.45 125.18 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.3 p -95.95 164.05 19.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 73.92 4.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 31.9 p90 -73.54 149.95 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 8.8 m-85 -112.38 138.79 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.496 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 5.4 m-85 -62.88 143.07 57.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -85.03 170.05 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.44 157.57 3.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -42.37 97.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -37.37 37.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.86 -32.63 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -62.94 127.43 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.634 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER 54.34 41.29 32.06 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 20.4 t80 -62.74 -59.87 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.581 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -50.92 -23.05 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' ARG . 11.8 m170 -76.7 -47.07 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.13 106.03 19.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -11.11 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -102.87 12.47 36.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -69.83 -168.39 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.581 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.5 m-85 -55.33 115.6 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.7 p -140.41 167.23 22.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 147.01 -44.53 0.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.2 tt -50.05 149.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 119.15 34.81 0.99 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.83 16.05 1.98 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.942 HD13 ' N ' ' A' ' 204' ' ' GLY . 0.2 OUTLIER -130.41 145.34 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 0.78 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.942 ' N ' HD13 ' A' ' 203' ' ' ILE . . . 130.32 85.71 0.39 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.3 p -69.66 152.14 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.5 m -104.16 156.36 17.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.387 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 153.74 82.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 162' ' ' ALA . 18.3 Cg_endo -75.03 164.11 33.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 126.89 10.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -70.65 -39.92 73.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.32 -44.75 4.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -139.78 148.13 41.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.45 -2.65 9.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . 2.0 mtpp -87.23 29.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mppt? -80.98 4.85 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -59.32 141.0 55.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 109.586 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 tp -48.78 158.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 10' ' ' SER . 14.9 p -138.89 169.09 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -92.01 171.72 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.0 -40.79 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.77 -21.36 60.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -35.23 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -51.76 149.64 4.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.466 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 52.14 174.51 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -143.14 166.05 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -100.89 77.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -142.48 99.4 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.1 18.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 180' ' ' TYR . 0.1 OUTLIER -120.27 116.53 32.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.06 40.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 37.1 t -127.4 159.89 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -67.58 157.66 33.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 m -77.97 -44.89 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.29 158.17 25.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 68' ' ' THR . 58.7 t-80 -58.97 170.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.548 ' HB2' ' CD ' ' A' ' 188' ' ' GLN . . . -73.02 -65.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 14.2 t -91.22 -53.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.549 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 32.5 m120 -56.7 -27.0 58.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 45.7 22.93 0.82 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -100.36 170.37 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.641 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.55 119.03 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 mtp -81.71 -54.13 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -78.93 -56.08 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -61.28 128.21 35.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -107.7 137.53 19.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 143.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.806 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 127.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.63 51.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -93.85 165.28 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -142.17 162.99 34.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG22 ' A' ' 99' ' ' VAL . 5.5 mt -112.77 151.89 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -136.65 124.79 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 139' ' ' TYR . 14.4 mt -97.86 125.59 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -138.48 146.86 42.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.91 113.67 14.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 1.0 OUTLIER -130.08 12.43 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 95.67 -127.16 9.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -41.5 109.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 32.8 p90 -86.64 -1.82 58.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 50.0 m0 -70.12 -61.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.71 -43.22 15.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 55.7 t -52.44 -57.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HB2' HG11 ' A' ' 96' ' ' VAL . 4.4 tt0 -64.45 -33.28 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 tmt_? -64.55 -38.12 89.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -81.06 -40.68 23.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.83 -56.76 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -63.5 -15.75 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 mm-40 -85.81 -10.24 55.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 113' ' ' VAL . 82.4 mt -69.66 139.01 88.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.79 2.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.557 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.65 -2.98 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 60' ' ' TRP . 3.3 t -92.71 114.43 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.45 -45.98 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.23 155.8 41.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 4.4 m -150.91 141.49 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -139.49 159.74 41.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.22 148.36 31.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.08 -158.7 11.67 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' O ' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -146.65 150.88 36.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -170.63 167.22 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.92 -16.45 15.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.89 -169.82 43.86 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.523 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 98.4 m-85 -110.07 -32.74 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.5 m -53.38 125.52 43.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.466 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.6 Cg_endo -74.95 142.56 28.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 1.3 m120 43.69 62.58 9.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' CE1' ' A' ' 72' ' ' TYR . 18.2 Cg_endo -75.01 158.9 41.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.9 m -125.08 150.03 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 t80 -55.49 -29.93 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -62.12 -57.51 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' OE2' HG22 ' A' ' 90' ' ' THR . 6.5 pt-20 -66.26 -37.61 85.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 81' ' ' THR . 32.2 t -50.0 -49.58 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -29.04 26.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.238 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -69.78 -28.26 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.88 13.51 83.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.584 1.177 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 17.6 m-20 -100.13 25.02 7.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.542 HG22 ' OE2' ' A' ' 84' ' ' GLU . 5.4 p -120.28 -35.69 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.02 -8.46 78.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 66.9 m-70 -80.12 147.78 31.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -115.03 175.47 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.88 115.53 21.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.21 168.47 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -142.76 131.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -91.04 125.29 35.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 59' ' ' PHE . 2.7 mp -116.38 133.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.916 HG22 HG12 ' A' ' 44' ' ' ILE . 18.6 t -116.21 115.02 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 31.1 p90 -136.13 164.97 26.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.02 139.48 20.15 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.98 20.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -90.12 -24.21 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' A' ' 64' ' ' GLY . 48.2 t -97.47 -59.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.5 HG23 ' CD2' ' A' ' 100' ' ' TYR . 18.4 tt -119.45 163.61 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 p -116.41 159.12 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.6 p90 -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.631 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -63.59 -40.79 97.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.24 -33.38 75.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 62' ' ' LEU . 57.4 mt -73.04 -50.29 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 149' ' ' ALA . 2.6 mt -59.67 -41.31 90.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.621 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 3.2 tt0 -55.07 -52.08 64.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' ' 117' ' ' ASN . 34.5 t -52.84 -35.53 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 7.8 t80 -53.75 -46.63 70.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -88.14 -18.76 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' ' 113' ' ' VAL . 3.9 m-80 -131.06 -50.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 51.0 t60 -108.9 170.69 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.548 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 10.4 t0 -116.38 136.49 23.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 156' ' ' PHE . 18.2 Cg_endo -75.04 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' OD1' ' A' ' 119' ' ' ASP . . . -129.2 50.26 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG3' ' CE1' ' A' ' 118' ' ' HIS . 1.9 mm-40 -84.42 -20.37 31.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 -166.94 48.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.55 ' HE2' ' HB ' ' A' ' 132' ' ' THR . 0.8 OUTLIER -77.33 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 111.046 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.493 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 8.7 ptt-85 179.94 170.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.76 122.1 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.03 -123.85 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -91.58 -1.73 57.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 0.803 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.65 131.84 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.7 p80 -116.67 147.42 41.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.79 175.88 28.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.55 ' HB ' ' HE2' ' A' ' 124' ' ' MET . 1.9 t -89.88 -13.46 36.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 2.0 mt-30 -89.33 -6.7 56.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -106.87 29.12 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -89.51 178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.11 131.53 55.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.09 144.97 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.428 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.5 mt -117.68 129.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.477 ' HB2' HG22 ' A' ' 46' ' ' ILE . 51.2 m-85 -124.15 85.65 54.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.01 164.5 33.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.464 ' HA ' HD13 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -110.85 -21.76 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.5 p -112.97 162.92 19.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.5 6.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.68 -31.23 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -72.64 -40.41 66.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.45 85.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.42 83.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.04 70.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.08 -54.24 49.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.44 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 12.2 ptm180 -64.23 -31.68 72.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 155' ' ' ARG . . . -69.08 -45.55 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -58.14 -33.76 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -70.09 -51.22 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.21 -32.54 73.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 151' ' ' ALA . 47.0 ttt-85 -71.99 -41.42 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 120' ' ' PRO . 34.2 t80 -74.03 -37.92 64.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -57.76 -27.56 63.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.04 -33.93 44.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.36 -54.97 18.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 26.9 ptm -57.18 -34.48 68.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 165' ' ' ASP . 1.0 OUTLIER -65.37 -44.38 87.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.61 -17.52 60.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.35 16.96 12.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 62.63 19.69 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -93.71 105.28 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -89.32 15.64 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 155.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -97.87 127.47 43.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.578 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -66.59 119.49 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.87 -33.83 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 120' ' ' PRO . 2.7 m -46.81 130.81 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.87 128.06 39.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 4.8 mt -97.4 121.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.19 147.49 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -41.47 139.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -55.59 118.0 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 3.1 p -98.94 163.11 19.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.763 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -102.69 150.32 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -110.14 139.18 45.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -63.28 141.19 58.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.94 160.95 18.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.95 158.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.5 -30.13 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -37.15 85.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 12.0 m170 -80.06 -51.15 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 69' ' ' ALA . 1.2 mt-30 -51.77 123.11 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.548 ' CD ' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 49.31 53.52 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.587 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.8 t80 -69.62 -48.2 60.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.4 -9.75 50.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -25.43 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.82 100.88 9.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -14.58 20.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -108.86 20.95 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -76.53 -168.03 26.95 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 109.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 0.778 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 42.7 t -140.24 127.11 20.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -129.75 -56.66 0.1 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.06 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 117' ' ' ASN . 2.6 tt -49.87 140.32 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 157.71 43.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.416 1.073 . . . . 0.0 111.017 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 161.28 41.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -130.88 128.26 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 121.27 90.28 1.1 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 131.38 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.786 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 33.1 m -120.36 77.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.79 97.1 44.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.47 11.48 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.533 1.807 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -38.99 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.86 60.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.17 -44.98 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -127.7 159.88 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.38 143.74 42.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -87.22 24.33 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.53 6.61 19.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -74.87 131.66 40.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 132' ' ' THR . 4.0 tp -103.09 130.64 50.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.64 152.54 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.79 167.23 15.8 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.942 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -35.94 2.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.42 61.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -33.49 8.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.98 147.71 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.89 148.4 13.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.35 19.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.42 169.31 29.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -131.89 159.91 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.781 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.519 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.1 p-10 -87.04 81.41 8.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -133.86 99.42 13.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.394 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.94 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm -111.62 118.77 46.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.38 143.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.85 150.15 7.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' HD23 ' A' ' 27' ' ' LEU . 8.7 m -76.82 -31.05 56.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' THR . 7.8 mt -135.43 158.37 44.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 49.9 t-80 -57.98 163.96 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -74.77 -54.78 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -91.15 -52.12 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 1.9 t30 -57.33 -34.48 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 60.46 12.69 26.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -100.74 167.95 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.614 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -52.95 119.83 5.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mmm -80.24 -43.58 21.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.9 p -74.82 -53.87 8.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 129.64 41.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 42' ' ' MET . 1.3 t -121.85 135.02 24.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 148.7 35.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.0 126.8 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.12 -9.7 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.567 ' HB3' HG13 ' A' ' 38' ' ' VAL . 34.9 tpp -91.73 157.64 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -138.32 165.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.785 HG12 HG22 ' A' ' 99' ' ' VAL . 5.4 mt -119.22 151.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -139.33 125.31 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.146 HG21 ' CE1' ' A' ' 179' ' ' PHE . 2.6 mp -105.67 131.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CD2' HG12 ' A' ' 138' ' ' ILE . 20.3 m-85 -142.95 149.0 37.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.74 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 5.6 ttm -136.53 16.38 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 -130.65 10.38 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -43.85 110.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 23.7 p90 -83.63 0.45 46.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.801 ' CZ3' ' CE2' ' A' ' 189' ' ' TYR . 30.1 m0 -70.94 -61.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.84 -43.06 15.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' CYS . 75.5 t -52.8 -47.01 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HG3' HG11 ' A' ' 96' ' ' VAL . 82.3 tt0 -69.27 -32.05 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 ttt180 -61.68 -56.07 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.649 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -61.66 -32.19 72.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.796 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -64.63 -52.91 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.627 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.52 -21.21 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.081 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 4.1 mt-30 -79.61 0.44 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.062 HD21 HG21 ' A' ' 113' ' ' VAL . 7.1 mt -86.11 142.47 36.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 113.9 3.9 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.23 -13.63 9.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 60' ' ' TRP . 18.6 t -82.62 120.09 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.409 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.1 t80 -73.57 -56.07 5.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -153.47 164.12 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 13.1 p -133.13 160.82 36.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.832 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -147.54 151.25 36.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.01 120.34 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.8 177.47 20.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -120.31 151.82 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -169.61 177.02 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.66 -26.15 19.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.75 -166.76 42.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -115.8 -34.36 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 0.815 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 54.2 m -52.6 117.92 11.87 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.613 1.196 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 125.81 9.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 58.99 63.79 3.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.9 163.87 34.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.823 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 85' ' ' VAL . 71.5 p -121.26 158.62 27.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -51.12 -45.52 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -60.04 -52.44 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.4 mt-10 -55.22 -49.6 71.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 81' ' ' THR . 87.4 t -61.23 -41.15 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -36.24 62.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -49.64 58.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.16 16.44 25.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.77 15.9 22.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 2.5 p -111.8 -29.35 7.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.08 0.3 69.65 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 81.5 m-70 -79.86 150.94 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.54 169.79 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.51 115.69 21.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.81 166.69 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 69' ' ' ALA . 83.9 t -146.72 135.03 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -93.88 118.32 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.513 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.9 mp -108.74 126.97 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.785 HG22 HG12 ' A' ' 44' ' ' ILE . 14.7 t -108.54 118.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 41.6 p90 -141.4 161.7 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.95 133.51 20.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.02 0.36 9.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -90.33 -18.97 24.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.4 t -112.04 -61.65 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' PRO . 21.4 tt -109.65 166.58 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 p -122.87 154.04 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.912 ' O ' HD12 ' A' ' 111' ' ' LEU . 17.2 p90 -58.04 -35.41 71.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.644 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 tt0 -57.86 -47.67 82.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -58.18 -35.32 71.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.811 HD23 HD13 ' A' ' 62' ' ' LEU . 29.0 mt -70.19 -44.26 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -67.46 -45.04 77.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -36.52 71.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.062 HG21 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.53 -36.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.72 -52.92 60.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.974 ' O ' HG21 ' A' ' 203' ' ' ILE . 2.2 m95 -73.2 -19.11 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -97.9 8.85 44.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.649 ' OD1' HD22 ' A' ' 58' ' ' LEU . 3.8 t-20 -111.6 -50.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.66 ' C ' HG22 ' A' ' 203' ' ' ILE . 0.2 OUTLIER -150.41 167.77 26.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.613 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.24 115.28 64.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.673 ' O ' HG22 ' A' ' 170' ' ' THR . 18.3 Cg_endo -75.05 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.71 48.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -100.0 -18.65 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.662 ' H ' HG21 ' A' ' 170' ' ' THR . . . 88.5 -151.72 22.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.3 54.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -179.95 150.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 134' ' ' TYR . 0.0 OUTLIER -131.2 126.95 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.47 -120.04 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.96 10.64 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.9 m-20 -110.38 127.81 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.24 153.17 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.646 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.59 162.82 10.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.546 HG21 HD12 ' A' ' 8' ' ' LEU . 94.2 m -84.37 -3.47 58.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 0.711 . . . . 0.0 110.373 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.23 -9.63 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 36.5 m-85 -97.58 37.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -76.86 -170.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.7 m -139.52 134.94 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.47 148.13 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.522 HG12 ' CD2' ' A' ' 47' ' ' PHE . 79.9 mt -113.8 133.39 59.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -129.58 89.83 45.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.06 176.02 10.48 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.6 mm? -111.06 -28.54 8.26 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -116.94 168.08 9.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.84 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.44 1.758 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.66 -34.91 78.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -73.22 -37.05 66.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -49.13 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.05 69.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.23 -41.91 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.05 -52.29 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -66.02 -31.94 73.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.98 -48.51 52.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.1 p -56.53 -43.91 80.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.3 tt -64.45 -45.63 86.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.48 -42.34 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -46.36 35.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.0 -45.74 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 161' ' ' LEU . 32.2 tt0 -51.97 -34.66 43.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -76.72 -33.91 58.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -55.7 17.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 165' ' ' ASP . 4.0 ptm -58.96 -33.69 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 157' ' ' GLN . 0.6 OUTLIER -63.13 -39.06 93.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.44 -19.09 64.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.51 15.64 10.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.8 t0 67.33 24.61 8.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 160' ' ' MET . 7.1 t70 -89.37 87.08 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -4.64 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.057 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 150.75 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -97.56 139.66 33.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.946 HG23 HG22 ' A' ' 171' ' ' THR . 10.8 mt -70.4 118.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 120' ' ' PRO . 10.0 t -94.45 -8.19 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.946 HG22 HG23 ' A' ' 169' ' ' ILE . 12.7 t -80.25 148.99 30.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.91 149.33 43.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp -101.04 133.42 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.87 161.91 40.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.89 158.81 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -78.4 124.29 27.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -102.13 178.64 1.16 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.459 1.1 . . . . 0.0 110.399 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.1 Cg_endo -75.02 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 1.146 ' CE1' HG21 ' A' ' 46' ' ' ILE . 9.2 m-85 -71.35 144.19 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 37.0 m-85 -110.97 119.91 40.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 7.3 m-85 -60.36 133.14 55.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -89.96 169.48 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.58 136.97 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.83 -37.69 52.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -25.61 6.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 97.8 m-70 -98.43 -47.21 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 188' ' ' GLN . 13.6 mt-30 -51.55 134.29 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.619 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 7.7 pt20 34.78 49.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.801 ' CE2' ' CZ3' ' A' ' 53' ' ' TRP . 41.5 t80 -60.82 -32.32 71.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -60.99 -18.8 59.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.65 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -71.12 -35.68 71.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -44.77 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.562 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -132.37 114.42 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -16.12 20.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 3.2 p90 -105.05 23.91 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -78.1 -167.92 31.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -86.15 129.3 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 199' ' ' GLY . 26.6 p -119.49 -44.18 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.413 ' N ' ' SG ' ' A' ' 198' ' ' CYS . . . 75.01 -54.36 2.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 118' ' ' HIS . 15.8 tt -49.72 149.37 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -167.92 81.98 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 66.99 178.46 10.05 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.974 HG21 ' O ' ' A' ' 115' ' ' TRP . 5.5 pt -111.03 -36.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 92.72 -24.86 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.742 ' HB ' HD12 ' A' ' 203' ' ' ILE . 20.2 t -78.84 151.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 30.7 p -116.51 151.05 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 108.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.504 ' H ' HD13 ' A' ' 207' ' ' LEU . 0.0 OUTLIER -141.49 157.51 65.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 123.38 7.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.39 102.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.43 -44.43 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.75 110.33 20.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.14 26.43 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.685 ' HZ2' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -78.15 -3.63 43.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.44 3.57 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -84.29 71.37 10.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.636 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.785 HD22 HH12 ' A' ' 135' ' ' ARG . 10.7 tp -122.06 150.73 41.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 p -61.34 150.35 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -92.27 178.89 1.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.98 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.29 -16.82 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.45 -37.21 18.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 160.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 113.3 56.68 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.49 106.17 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -90.2 138.34 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.18 170.79 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 21' ' ' PRO . 2.7 m -69.07 144.31 95.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.462 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.02 137.19 21.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.54 157.09 58.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.39 25.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.61 159.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 158.11 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.5 m -75.92 -31.55 59.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 26' ' ' THR . 13.4 mt -134.51 175.26 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.2 t-80 -72.28 168.14 18.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -64.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 2.8 t -90.82 -48.29 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.534 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -57.92 -30.76 66.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 53.31 18.8 7.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' HIS . 1.3 m-70 -100.26 167.32 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.569 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -69.79 119.7 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -55.04 5.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.6 p -56.81 -53.29 59.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.86 126.85 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 44' ' ' ILE . 1.9 t -116.83 136.14 23.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 150.11 37.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.31 129.73 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.84 -19.9 34.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.75 167.05 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.99 165.16 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 99' ' ' VAL . 6.8 mt -113.44 155.29 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.378 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -150.04 125.84 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.736 HD12 ' HB1' ' A' ' 176' ' ' ALA . 11.9 mt -97.89 129.14 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -134.74 139.67 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -122.35 109.97 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.522 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 19.1 mtp -131.27 34.62 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 77.67 -132.07 11.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.9 t -40.53 112.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.6 p90 -83.78 -2.58 56.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.696 ' HB3' HD23 ' A' ' 190' ' ' LEU . 54.0 m0 -70.42 -60.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.93 -43.02 18.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 58' ' ' LEU . 57.2 t -52.86 -52.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' HG3' HG11 ' A' ' 96' ' ' VAL . 1.1 tt0 -60.16 -41.72 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.724 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -61.33 -37.11 82.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 HD21 ' A' ' 117' ' ' ASN . 0.1 OUTLIER -68.56 -34.51 75.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 62' ' ' LEU . 15.9 m-85 -81.11 -33.24 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.51 -37.0 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -77.83 -8.4 57.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.974 HD11 HG11 ' A' ' 113' ' ' VAL . 2.3 mt -68.95 134.91 89.72 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.97 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.55 -7.34 11.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 59' ' ' PHE . 24.4 t -86.68 119.81 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.24 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 5.7 t80 -72.33 -46.17 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -165.15 167.52 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.1 p -139.54 164.77 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.781 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -154.72 137.06 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -94.6 147.17 23.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.564 ' HA3' ' CD2' ' A' ' 179' ' ' PHE . . . -170.8 -171.51 36.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.468 ' HB2' ' CE2' ' A' ' 180' ' ' TYR . 20.7 m-85 -136.72 144.66 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 3.1 t -170.61 177.91 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 103.71 -16.48 51.4 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -90.96 -157.71 33.98 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -116.15 -40.95 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 96.0 m -49.61 119.37 9.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -75.02 133.34 16.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 47.33 63.94 9.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.075 . . . . 0.0 109.232 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.04 169.9 21.58 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 83' ' ' ARG . 10.9 m -116.44 152.9 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -45.43 52.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.24 -43.68 98.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -62.75 -47.29 84.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.9 t -63.33 -36.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.6 t -57.3 -38.24 73.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -66.58 -45.62 78.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.72 19.63 26.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -98.41 15.35 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -112.08 -35.03 5.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.49 69.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.1 m-70 -67.85 148.82 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.678 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.27 168.84 10.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.443 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 31.3 mt-10 -75.06 116.18 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.74 157.06 47.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 69' ' ' ALA . 91.1 t -140.45 141.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.3 mp -116.09 121.34 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 44' ' ' ILE . 3.8 t -108.78 114.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.496 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 32.5 p90 -133.84 165.88 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.35 136.11 20.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.08 0.98 8.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -27.66 19.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.3 t -106.11 -61.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 63' ' ' PRO . 16.5 tt -109.56 160.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 p -121.46 141.21 51.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 145' ' ' GLN . 48.0 t80 -44.99 -35.78 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.91 -42.23 93.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 113' ' ' VAL . 62.5 mt -66.0 -34.38 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.55 ' CD2' HD13 ' A' ' 138' ' ' ILE . 17.0 mt -76.12 -30.44 58.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -55.29 21.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 62' ' ' LEU . 3.5 p -54.5 -42.6 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.485 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 25.7 t80 -46.61 -56.43 6.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.805 ' CZ2' ' CD2' ' A' ' 156' ' ' PHE . 11.0 m0 -57.46 -28.64 63.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.7 tt0 -91.16 6.85 43.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 58' ' ' LEU . 28.6 m120 -113.07 -40.24 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -169.61 169.53 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.387 1.055 . . . . 0.0 109.574 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.754 ' HB2' HG22 ' A' ' 203' ' ' ILE . 12.8 t70 -102.44 141.72 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.99 28.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -140.11 49.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -104.03 -1.52 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.77 -156.23 43.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.428 1.08 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.541 ' CE ' HG22 ' A' ' 132' ' ' THR . 6.9 ptp -90.16 63.63 5.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.73 145.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.625 1.203 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 30.3 tt0 -128.35 116.4 19.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.81 -123.2 23.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -85.72 8.9 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 9.0 m-20 -102.91 125.81 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -119.79 138.35 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.576 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.41 165.15 14.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.541 HG22 ' CE ' ' A' ' 124' ' ' MET . 81.4 p -85.61 -0.2 54.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.741 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 85' ' ' VAL . 5.7 mp0 -92.85 -7.33 46.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 57.6 m-85 -103.69 37.44 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.785 HH12 HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -88.6 148.77 23.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 p -96.06 137.43 35.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -168.49 147.37 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.55 HD13 ' CD2' ' A' ' 111' ' ' LEU . 26.4 mt -110.58 124.8 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.709 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 54.0 m-85 -118.77 89.52 38.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.793 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 176' ' ' ALA . 1.9 mm? -118.69 -38.25 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 p -98.62 165.56 14.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.38 4.59 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.23 -30.33 70.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 78.5 mt-30 -73.76 -40.56 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -70.87 -36.41 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.13 -41.67 66.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.404 ' HB2' ' OH ' ' A' ' 107' ' ' TYR . . . -60.46 -54.37 46.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.55 -43.22 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 156' ' ' PHE . 1.4 p -70.89 -35.68 72.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 171' ' ' THR . 8.8 tt -57.28 -50.96 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.97 -35.5 76.93 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -26.0 53.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.805 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -68.77 -44.5 73.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 158' ' ' ALA . 1.0 OUTLIER -51.41 -34.28 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 157' ' ' GLN . . . -80.63 -41.13 24.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.91 -56.21 23.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 3.8 ptt? -62.87 -35.55 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.15 -44.83 92.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.22 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.5 9.46 23.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.48 28.06 3.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.41 99.87 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.45 18.52 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.433 ' O ' ' CE ' ' A' ' 160' ' ' MET . 24.1 mtt180 -52.77 163.64 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.685 ' CG ' ' HZ2' ' A' ' 5' ' ' LYS . 52.8 t-80 -100.42 131.46 46.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.808 ' CG2' HG22 ' A' ' 171' ' ' THR . 51.0 mt -67.89 94.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 18.2 p -71.6 -9.46 58.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 169' ' ' ILE . 0.9 OUTLIER -69.97 149.03 48.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.2 pt-20 -130.88 144.24 51.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 138' ' ' ILE . 24.9 mm -109.74 130.45 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -153.77 159.21 41.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.97 158.78 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -65.95 118.79 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 21.9 p -97.94 163.15 20.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.09 85.83 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -81.97 151.91 26.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 180' ' ' TYR . 0.3 OUTLIER -101.48 130.18 47.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -59.56 127.08 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -68.51 170.0 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.1 161.56 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.01 -37.37 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -34.03 69.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -83.52 -41.98 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.81 122.83 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 47.59 53.64 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 64.0 t80 -62.79 -53.21 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.067 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.724 HD12 ' CZ ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -47.67 -27.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.509 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -72.8 -40.4 65.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.574 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 192' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 189' ' ' TYR . 12.3 tttt -71.73 -34.7 69.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.84 97.66 32.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -15.44 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -95.29 -4.48 45.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -56.26 -162.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.553 ' O ' HD21 ' A' ' 190' ' ' LEU . 4.2 m-85 -82.71 123.0 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 0.711 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 28.9 p -121.66 56.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -100.16 118.78 6.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 117' ' ' ASN . 7.3 tp -104.97 -47.05 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 89.13 -131.9 10.96 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.42 168.21 31.08 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.754 HG22 ' HB2' ' A' ' 119' ' ' ASP . 46.5 pt -100.48 -42.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 0.76 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 203' ' ' ILE . . . 58.07 43.08 95.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 160' ' ' MET . 19.4 t -114.56 144.12 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.23 118.23 3.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.777 ' C ' HD22 ' A' ' 207' ' ' LEU . 0.0 OUTLIER -138.76 146.37 50.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.72 4.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -84.78 -37.56 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.89 -44.94 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -142.25 158.58 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.62 108.61 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -87.27 29.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 8.23 21.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 5' ' ' LYS . 10.8 p80 -60.18 109.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' A' ' 132' ' ' THR . 51.5 tp -100.29 161.59 13.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 6.2 p -86.12 155.7 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.27 170.99 8.26 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.25 2.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.18 -30.58 60.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HB3' HG22 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -75.71 -41.73 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.87 159.13 0.43 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 90' ' ' THR . 0.3 OUTLIER -74.69 156.06 86.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -14.29 21.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' HA3' HG23 ' A' ' 77' ' ' THR . . . 57.94 179.66 0.93 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -130.33 174.59 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -100.55 94.0 5.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -141.72 99.44 6.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 137.24 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -87.66 155.87 53.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 145.27 31.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.83 128.27 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 155.15 13.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -72.17 -34.3 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.2 mt -127.44 176.83 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.7 t-80 -72.36 166.44 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.638 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -74.04 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 191' ' ' HIS . 23.8 t -90.75 -51.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 58.66 13.04 16.04 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.055 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -101.0 -176.07 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 0.737 . . . . 0.0 109.62 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -52.73 119.84 5.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -54.75 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -79.74 -52.92 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -49.69 126.08 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.55 135.32 20.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.07 139.07 23.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.96 131.73 50.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.58 -1.08 56.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.481 ' HE1' ' OD2' ' A' ' 101' ' ' ASP . 2.2 mtt -112.42 161.22 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -134.85 165.92 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.956 HG12 HG22 ' A' ' 99' ' ' VAL . 4.2 mt -106.51 155.09 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.32 124.36 21.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.8 mt -109.42 124.83 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' HG12 ' A' ' 138' ' ' ILE . 31.4 m-85 -143.36 153.64 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -125.12 110.43 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -128.5 35.38 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.42 -137.31 16.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.803 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.8 p -45.1 109.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 5.3 p90 -82.23 -1.64 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 8.0 m0 -71.82 -54.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.0 -42.46 19.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.594 1.184 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 51' ' ' CYS . 90.6 t -51.08 -55.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.0 pt-20 -60.95 -40.15 92.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -64.33 -32.63 74.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.29 -34.19 25.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.0 m-30 -66.07 -56.22 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -62.64 -19.86 64.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -2.78 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 HG21 ' A' ' 113' ' ' VAL . 3.6 mt -98.42 144.57 28.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 138.69 -17.88 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 75.0 t -85.28 109.32 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -75.59 -50.41 15.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.61 159.36 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 98' ' ' ILE . 60.5 p -143.06 151.42 40.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -144.04 149.59 36.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.35 147.62 31.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.72 -175.34 43.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 180' ' ' TYR . 10.6 m-85 -125.39 154.75 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t -170.12 166.17 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.89 -19.75 43.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.556 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.42 -170.12 46.2 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -110.71 -32.2 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 12.0 m -57.47 119.58 33.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.57 16.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.417 1.746 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.2 m120 44.23 63.89 7.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.498 ' HD2' ' CD2' ' A' ' 180' ' ' TYR . 18.4 Cg_endo -74.98 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.403 HG21 ' NH2' ' A' ' 83' ' ' ARG . 3.2 m -114.18 169.97 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.54 -49.85 73.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' NH2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -58.28 -36.8 73.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.64 -49.58 65.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' THR . 73.6 t -61.57 -45.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -51.71 -33.14 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 108.262 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -48.77 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.83 9.08 53.36 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.5 25.62 5.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.465 HG22 ' CD2' ' A' ' 15' ' ' LEU . 6.8 p -115.24 -33.54 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.65 2.97 90.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.556 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 71.6 m-70 -86.27 146.85 26.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.69 154.61 28.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.497 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 52.1 mt-10 -70.16 114.53 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.75 168.86 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 69' ' ' ALA . 16.7 t -145.09 136.33 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.382 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 1.005 ' C ' HD13 ' A' ' 98' ' ' ILE . 5.2 ttm180 -95.62 115.08 26.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.005 HD13 ' C ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -109.82 141.07 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.956 HG22 HG12 ' A' ' 44' ' ' ILE . 5.2 t -123.74 114.03 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.711 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.6 p90 -136.97 165.64 25.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' OD2' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -101.34 136.81 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.65 18.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.591 1.838 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -13.16 38.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -112.22 -62.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.453 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 10.6 tt -112.42 160.29 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.408 ' N ' HG12 ' A' ' 105' ' ' ILE . 2.5 p -115.56 170.81 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 40.0 p90 -72.54 -45.98 56.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.629 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 5.9 pt-20 -55.46 -30.34 60.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.711 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 86.6 mt -73.68 -39.27 64.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -68.13 -37.78 81.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -66.38 -47.49 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.606 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -57.31 -35.57 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.567 ' CE1' ' CE1' ' A' ' 59' ' ' PHE . 18.3 m-30 -66.13 -57.77 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.744 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 9.8 m95 -63.84 -19.1 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -93.18 -9.34 39.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.475 ' O ' ' CG1' ' A' ' 200' ' ' ILE . 10.4 m-80 -110.89 -23.47 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' CE1' ' OE1' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -156.95 170.24 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.627 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.87 141.4 22.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -75.06 0.51 8.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.84 49.89 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.458 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 18.3 tp60 -102.88 15.19 30.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.14 -157.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.96 66.15 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.57 158.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 49' ' ' MET . 2.1 tt0 -143.62 119.21 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.16 -123.54 21.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.59 13.46 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 32.9 m-20 -109.23 124.57 51.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -119.06 144.22 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.168 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 170.09 17.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.432 HG21 ' CD1' ' A' ' 8' ' ' LEU . 18.8 m -85.76 0.2 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.413 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -93.16 -10.56 35.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 47.9 m-85 -107.75 38.5 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -89.28 166.98 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.9 m -106.58 129.12 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.41 157.65 32.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.744 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 69.4 mt -130.54 133.39 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.1 87.78 50.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.46 16.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.96 -32.42 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.0 p -98.89 160.6 27.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.32 10.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.03 -35.11 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.14 -40.85 90.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.401 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.5 OUTLIER -61.7 -51.88 66.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.3 -36.73 71.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.83 -41.2 62.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.68 40.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 151' ' ' ALA . 1.8 ppt_? -64.79 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.24 -48.0 83.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 156' ' ' PHE . 7.2 p -58.01 -42.23 84.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.4 tt -61.63 -48.68 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.96 -37.29 86.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -74.06 -35.55 64.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 152' ' ' SER . 87.7 t80 -71.88 -37.02 70.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.11 -39.45 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.78 51.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 207' ' ' LEU . . . -68.0 -29.95 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.402 ' CG ' ' CE2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.83 -37.95 83.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 207' ' ' LEU . . . -66.09 -15.84 63.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.94 -3.4 21.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 73.31 45.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -118.47 94.82 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 7.74 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 160.54 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -94.77 131.98 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 64.4 mt -76.95 111.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 3.8 t -81.81 -28.78 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.8 m -40.78 124.09 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.1 122.3 35.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 12.9 mt -97.27 135.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -158.57 155.35 28.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 176' ' ' ALA . 34.7 t-20 -49.55 143.05 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 175' ' ' ASN . . . -58.89 139.13 56.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 165.23 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 23.9 p90 -76.57 149.66 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -101.97 129.1 48.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.477 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 4.0 m-85 -61.9 141.31 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.75 168.19 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -52.22 147.33 7.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.73 -32.95 67.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -22.54 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -93.8 -38.19 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.611 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.49 121.03 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.612 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 9.2 mp0 51.87 45.7 27.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 38.8 t80 -64.88 -52.54 55.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -52.98 -20.91 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.682 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.29 -45.43 39.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -65.75 -39.41 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.16 105.0 53.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -23.18 14.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -109.52 25.68 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.76 -169.75 41.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.675 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 -53.98 116.76 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.0 168.29 17.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 124.44 100.49 1.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -107.15 -49.01 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 0.735 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 116.13 -105.23 1.36 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.564 1.165 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 112.3 142.18 8.53 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.531 HG23 ' N ' ' A' ' 204' ' ' GLY . 1.1 tp -133.63 -55.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.531 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 66.12 75.93 0.39 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 6.8 t -96.92 110.59 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 0.807 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' CYS . . . . . 0.622 ' C ' HD22 ' A' ' 207' ' ' LEU . 1.6 m -120.02 78.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 206' ' ' CYS . 4.3 mm? -127.3 117.41 21.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.65 42.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 137.93 22.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.07 116.99 9.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.3 pt? -108.29 7.57 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -66.89 116.07 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -140.0 150.2 44.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -87.19 30.72 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -3.48 32.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.6 133.43 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.616 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.73 169.64 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 88' ' ' GLY . 11.2 p -113.16 160.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -93.5 162.32 28.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.968 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.09 -34.8 3.47 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.555 1.818 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.34 -16.21 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.11 -35.57 9.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.66 144.21 6.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 89' ' ' ASP . 0.4 OUTLIER -69.33 146.88 96.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.05 54.47 3.68 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.579 1.831 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.563 ' CA ' HG23 ' A' ' 77' ' ' THR . . . 35.36 -149.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -163.85 163.69 23.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -92.62 81.3 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -150.1 99.33 3.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 110.434 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.67 35.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.776 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.37 139.46 20.33 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.76 35.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.43 145.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.91 152.99 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.375 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 -45.08 57.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.84 157.75 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.2 t-80 -60.35 170.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.621 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.763 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -72.32 -65.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.68 -52.65 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 30.8 m120 -56.94 -25.89 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.18 24.87 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -100.52 170.48 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.586 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -39.6 121.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 tpt -78.31 -50.69 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -94.83 -52.7 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -52.99 121.3 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 39' ' ' PRO . 53.1 t -101.28 136.28 19.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.02 143.45 29.02 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.06 125.91 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.93 6.7 45.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.7 mtt -122.15 165.31 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -143.14 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.925 HG12 HG22 ' A' ' 99' ' ' VAL . 8.1 mt -107.83 146.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -129.07 124.22 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.98 HD12 HD21 ' A' ' 141' ' ' LEU . 3.2 mt -108.68 127.2 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CD2' HG12 ' A' ' 138' ' ' ILE . 35.3 m-85 -146.26 153.66 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.98 109.79 12.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.498 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -127.3 50.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.32 -136.17 32.05 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.8 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.6 t -40.88 109.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 31.1 p90 -81.31 -20.44 40.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.785 ' HB3' HD23 ' A' ' 190' ' ' LEU . 13.6 m0 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.02 -48.51 8.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.896 HG13 ' CE1' ' A' ' 59' ' ' PHE . 81.3 t -51.91 -57.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' CE3' ' A' ' 60' ' ' TRP . 7.6 pt-20 -54.42 -37.65 65.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.696 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 7.6 ttt180 -61.55 -57.37 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -34.58 78.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.896 ' CE1' HG13 ' A' ' 55' ' ' VAL . 3.5 m-85 -66.5 -45.96 77.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.638 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -76.29 -29.34 57.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 108.049 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.3 mt-30 -77.09 0.1 22.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -81.45 139.55 48.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.91 107.81 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.69 -13.79 3.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 98' ' ' ILE . 46.3 t -90.08 120.8 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -80.16 -45.63 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -145.48 159.43 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.804 HG23 HG13 ' A' ' 98' ' ' ILE . 88.7 m -147.43 145.63 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.22 160.16 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -117.34 149.6 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 97' ' ' ARG . . . -172.2 -163.64 26.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 179' ' ' PHE . 83.7 m-85 -134.83 152.83 52.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.458 0.74 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.52 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.8 t -169.96 170.16 7.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.44 45.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.91 -176.64 47.94 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 11' ' ' PRO . 94.8 m-85 -106.84 -31.1 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.563 HG23 ' CA ' ' A' ' 17' ' ' GLY . 6.9 m -56.04 116.19 11.75 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.29 15.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' OD1' ' CE2' ' A' ' 180' ' ' TYR . 5.9 m120 52.24 63.01 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.99 169.87 21.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 p -124.98 158.69 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -55.16 -44.11 74.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -62.23 -50.03 73.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 27.8 mt-10 -59.84 -48.81 80.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 53.7 t -59.37 -42.53 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.66 -43.93 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.76 71.64 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.485 ' O ' HG11 ' A' ' 9' ' ' VAL . . . 106.25 21.97 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.647 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 p30 -99.44 20.81 13.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 0.784 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.508 HG22 HD21 ' A' ' 15' ' ' LEU . 48.4 p -117.25 -35.08 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.97 8.73 87.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 44.9 m-70 -86.08 148.39 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 153.74 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.5 tp10 -70.52 114.84 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.02 163.8 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -146.58 129.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 179' ' ' PHE . 5.9 ptp180 -90.37 115.61 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.804 HG13 HG23 ' A' ' 68' ' ' THR . 2.6 mp -104.16 130.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.925 HG22 HG12 ' A' ' 44' ' ' ILE . 15.6 t -105.74 114.03 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.667 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -139.57 165.67 26.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -103.76 137.39 19.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 -11.09 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.34 -52.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.2 tp -115.14 147.62 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.458 ' N ' HG13 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -111.3 147.39 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.604 ' CE1' ' OH ' ' A' ' 100' ' ' TYR . 9.8 m-85 -48.38 -48.64 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.47 -44.41 45.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -61.85 -49.53 75.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.667 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.7 mt -59.84 -35.67 75.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.69 -49.07 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.96 -46.14 82.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.679 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -55.62 -47.08 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.746 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 17.0 m-30 -66.9 -55.07 16.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 46.6 m95 -48.65 -24.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.06 -30.23 14.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' PHE . 10.0 m-80 -107.64 34.35 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -170.44 158.17 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.1 OUTLIER -112.51 133.52 21.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.04 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.691 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -139.32 49.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -92.19 -18.03 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.6 -166.14 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.404 1.065 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.38 62.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 179.45 163.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.06 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 1.6 tt0 -149.64 124.62 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.54 -124.19 21.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -91.58 11.61 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.56 118.1 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -113.16 152.94 29.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.704 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.74 166.03 11.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.6 m -82.12 -0.02 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.471 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -91.82 -17.45 25.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.62 37.53 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -70.72 175.47 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.238 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -130.95 113.6 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.55 168.84 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 47' ' ' PHE . 68.7 mt -124.69 128.17 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -116.09 84.41 13.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.55 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.4 Cg_endo -74.96 169.15 23.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 46' ' ' ILE . 4.4 mm? -120.14 -38.17 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 67.3 p -96.19 161.55 26.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.461 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 18.3 Cg_endo -75.08 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -78.26 -29.82 48.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.564 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 54.6 tt0 -65.49 -59.8 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -52.87 -44.2 66.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.86 76.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.52 62.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.8 76.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -64.97 -45.48 85.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.58 77.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 p -57.23 -45.26 84.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 171' ' ' THR . 6.7 tt -62.57 -48.02 81.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -55.97 -38.22 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.62 32.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -58.55 -30.6 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.722 ' HA ' HD11 ' A' ' 169' ' ' ILE . 54.0 tt0 -52.06 -32.61 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.34 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.66 -34.07 61.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.82 74.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 161' ' ' LEU . 2.7 mm? -56.84 -42.86 80.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.54 -19.54 49.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.38 17.35 14.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.3 t0 57.91 21.56 7.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.19 102.11 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.81 8.16 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -56.85 153.68 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -88.7 123.17 32.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.927 HG23 HG22 ' A' ' 171' ' ' THR . 54.8 mt -60.88 125.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 121' ' ' ALA . 20.8 p -95.97 -33.57 12.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.418 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.927 HG22 HG23 ' A' ' 169' ' ' ILE . 1.7 t -48.09 125.05 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.32 149.7 50.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.37 117.32 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -128.36 156.88 42.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.64 153.83 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -72.24 120.16 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.52 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -89.53 167.85 16.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.03 74.52 4.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 97' ' ' ARG . 7.5 p90 -61.71 150.32 37.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.478 ' CE2' ' OD1' ' A' ' 79' ' ' ASN . 32.4 m-85 -115.35 135.8 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.576 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 2.1 m-85 -59.69 131.99 52.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.85 169.81 14.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 155.7 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.18 -38.87 91.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.48 -37.02 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -82.28 -48.78 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.403 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 5.2 mt-30 -52.13 125.26 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.763 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 5.1 mp0 50.82 51.39 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 51.3 t80 -66.74 -50.77 61.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 53' ' ' TRP . 1.2 mm? -53.82 -20.93 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.459 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.58 -44.43 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.653 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.89 64.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.55 99.22 8.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.17 16.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -96.98 -3.25 41.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.35 -167.64 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.75 131.51 40.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 -60.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 38.27 50.34 2.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.407 HD11 ' O ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -49.81 -42.3 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 103.43 -176.17 24.11 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.34 159.98 28.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 tp -125.09 -47.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 65.46 85.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.0 141.13 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.23 140.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.296 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.1 OUTLIER -68.88 -53.07 15.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.5 Cg_endo -75.03 153.69 41.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.557 1.819 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -41.64 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.786 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.54 125.07 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.907 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.54 14.44 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 109.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 3' ' ' PHE . 1.1 p90 -60.35 151.95 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.65 148.64 50.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -87.47 27.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -24.93 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -61.26 109.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.566 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.76 165.01 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 13' ' ' ASP . 4.7 p -59.77 160.65 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.445 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -109.81 175.73 1.82 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.95 -27.58 10.0 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.64 -23.07 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HB3' HG22 ' A' ' 9' ' ' VAL . 6.5 t70 -99.54 -33.03 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.42 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 77' ' ' THR . 0.6 OUTLIER -87.34 152.04 51.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.46 -150.09 22.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.98 174.23 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 0.77 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.99 104.43 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.432 HG22 ' SD ' ' A' ' 22' ' ' MET . 3.9 m -135.63 99.31 11.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 135.4 19.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.432 ' SD ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -113.66 130.3 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.45 39.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.33 133.73 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.74 150.88 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 m -75.39 -36.66 60.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -126.83 174.15 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.5 t-80 -78.65 167.14 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.94 -65.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -89.83 -48.65 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -57.11 -34.13 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 60.99 9.88 16.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' HIS . 58.3 m170 -101.59 170.21 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -68.15 119.01 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ptm -80.9 -29.77 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.7 p -70.12 -43.27 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.95 119.84 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 44' ' ' ILE . 2.2 t -110.53 132.07 21.74 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 148.57 35.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.77 136.31 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.35 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.03 167.82 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 167.85 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.907 HG12 HG22 ' A' ' 99' ' ' VAL . 5.0 mt -116.56 151.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -134.92 124.65 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' TYR . 55.3 mt -113.66 123.49 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 1.046 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 1.7 p90 -152.08 154.95 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.72 131.08 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -142.8 16.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.84 -146.32 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.484 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 p -40.76 109.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.732 ' HB2' HG11 ' A' ' 96' ' ' VAL . 33.3 p90 -81.45 3.79 23.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.655 ' HB3' HD23 ' A' ' 190' ' ' LEU . 50.3 m0 -73.18 -61.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.11 -31.31 53.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.0 t -67.1 -58.21 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.0 tt0 -55.96 -56.28 22.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.623 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.28 -23.98 17.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 200' ' ' ILE . 0.2 OUTLIER -82.84 -32.78 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.7 m-85 -72.18 -57.51 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.623 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -59.77 -19.05 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 107.976 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.29 -23.16 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 HG11 ' A' ' 113' ' ' VAL . 2.9 mt -74.98 141.32 74.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 105.82 2.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.5 3.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 98' ' ' ILE . 87.1 t -87.89 111.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.2 t80 -69.7 -55.0 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -156.86 163.26 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 16.1 p -142.4 170.05 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -149.95 160.48 43.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.812 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -115.39 147.74 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -176.81 44.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -132.98 146.49 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 t -169.61 179.56 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 -26.33 24.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.35 -173.05 49.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -102.03 -30.94 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 15' ' ' LEU . 2.4 m -49.7 116.12 5.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.581 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.8 OUTLIER 59.84 63.0 3.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.556 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 170.07 21.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -122.69 149.91 43.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -37.58 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -58.83 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -67.08 -43.25 83.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 4.8 t -52.22 -40.66 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.17 -37.34 64.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 108.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -62.48 -44.76 95.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.57 29.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -97.83 12.92 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.477 ' HB ' ' CB ' ' A' ' 77' ' ' THR . 7.8 p -113.22 -19.76 11.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.86 1.47 89.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.0 m-70 -81.52 143.88 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.54 160.66 20.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.3 tm-20 -70.01 119.08 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.35 159.0 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 52' ' ' PHE . 2.9 m -146.76 129.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.759 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -92.44 114.95 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.046 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp -103.78 130.63 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.907 HG22 HG12 ' A' ' 44' ' ' ILE . 19.7 t -108.88 115.27 49.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.487 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 45.6 p90 -138.87 164.75 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.062 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.12 137.4 20.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -10.74 21.39 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -24.4 22.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -99.9 -48.56 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 100' ' ' TYR . 8.2 tt -131.97 140.84 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 p -95.31 145.13 25.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.5 p90 -53.46 -28.67 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.611 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -62.64 -46.01 90.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -57.57 -33.26 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 100' ' ' TYR . 68.9 mt -71.51 -42.02 68.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 63.4 mt -66.95 -46.91 73.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.2 mm-40 -60.29 -45.35 93.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.608 HG11 HD11 ' A' ' 62' ' ' LEU . 1.3 t -58.29 -44.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 8.1 t80 -56.84 -43.03 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.671 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 22.1 m95 -80.22 -19.43 46.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -90.09 -10.3 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.9 m120 -118.54 -2.71 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.437 ' C ' HG22 ' A' ' 203' ' ' ILE . 0.1 OUTLIER -169.94 170.44 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.538 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.08 154.11 40.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.439 ' HB2' HG23 ' A' ' 169' ' ' ILE . 18.5 Cg_endo -74.95 0.02 9.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.6 49.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 125' ' ' ARG . 3.4 tt0 -74.77 -19.18 60.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.578 ' H ' HG21 ' A' ' 170' ' ' THR . . . 68.88 177.12 13.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 ptm -79.73 62.78 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 179.88 152.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -145.9 120.58 9.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.68 -119.0 6.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.587 1.179 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.63 17.4 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 7.3 m-20 -113.03 121.05 43.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -119.93 138.95 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.57 177.47 23.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.9 p -86.76 1.0 53.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.395 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.472 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -91.23 -2.53 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.238 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 90.2 m-85 -124.24 58.05 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.421 ' CZ ' ' OE2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -113.07 -166.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.3 m -121.5 133.21 55.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -164.18 153.16 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.671 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 65.2 mt -131.76 139.8 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . 56.4 m-85 -135.26 88.57 25.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.12 162.76 36.31 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.441 1.759 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.2 -17.94 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.5 p -115.42 166.79 11.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.25 -36.21 82.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 41.8 tt0 -75.31 -28.69 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.87 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.84 -44.15 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -56.74 -46.62 81.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.24 49.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -60.16 -43.88 95.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.86 -48.31 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.0 p -65.39 -29.62 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.582 HD23 HD13 ' A' ' 169' ' ' ILE . 5.5 tt -67.68 -52.02 42.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.23 -34.23 77.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -74.05 -29.8 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.484 ' HA ' HD11 ' A' ' 169' ' ' ILE . 11.1 tt0 -51.91 -36.83 50.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.0 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.03 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.13 86.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.67 -43.61 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.6 -15.94 59.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.69 19.35 11.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.32 24.02 14.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.58 97.72 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.07 14.44 10.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.91 163.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -98.53 129.58 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.582 HD13 HD23 ' A' ' 153' ' ' LEU . 16.1 mt -63.0 118.8 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.578 HG21 ' H ' ' A' ' 123' ' ' GLY . 13.9 t -89.88 1.87 55.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 169' ' ' ILE . 3.1 m -70.71 122.42 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' CZ ' ' A' ' 135' ' ' ARG . 9.3 pt-20 -113.28 115.43 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 97.7 mt -94.8 128.77 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.22 153.31 27.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -46.59 158.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -75.98 127.05 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -101.56 170.24 6.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 72.81 4.56 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 2.8 p90 -64.57 150.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.4 127.9 45.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -66.47 139.5 57.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -84.21 163.7 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.2 162.24 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.88 -30.26 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -28.16 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -95.34 -49.35 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.812 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 12.6 mt-30 -51.05 131.39 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.406 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 4.4 mp0 54.81 46.33 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.578 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 28.6 t80 -63.19 -54.09 42.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.4 -27.03 14.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.604 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -35.94 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -121.14 94.17 48.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.42 21.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -100.14 6.66 44.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -71.21 -160.53 3.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 197' ' ' TYR . 5.2 p90 -119.99 141.16 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 199' ' ' GLY . 7.0 p -111.07 -48.24 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 198' ' ' CYS . . . 36.49 62.65 0.76 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.827 ' CD1' HD22 ' A' ' 58' ' ' LEU . 2.9 tt -110.33 -35.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.525 0.779 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -60.6 120.56 23.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 162.64 94.83 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.666 HD12 ' N ' ' A' ' 204' ' ' GLY . 2.0 pp -131.14 -58.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.666 ' N ' HD12 ' A' ' 203' ' ' ILE . . . 57.06 63.25 5.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.489 ' H ' HD12 ' A' ' 203' ' ' ILE . 52.2 t -134.97 155.74 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.08 104.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 1.1 pp -85.99 156.98 57.62 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.24 31.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 63.31 5.94 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.16 119.55 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.79 13.34 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.37 159.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -114.66 82.47 1.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -87.33 29.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -86.97 9.87 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -60.49 133.71 56.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.901 ' HB2' HG21 ' A' ' 132' ' ' THR . 1.9 tt -62.82 159.35 16.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.072 . . . . 0.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 8.6 p -138.73 165.57 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -92.63 173.37 5.11 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -74.99 -44.97 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.45 -26.29 58.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.12 -33.16 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.06 141.68 10.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 5.6 mt -55.05 138.64 65.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.4 Cg_endo -74.96 55.71 4.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.472 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 51.55 175.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 148.66 25.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -74.58 88.14 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 20' ' ' THR . 5.5 t -149.65 99.23 3.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.2 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ttp -114.04 121.43 36.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.14 42.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 181' ' ' TYR . 15.7 t -120.44 146.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 151.56 22.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 27' ' ' LEU . 7.7 m -81.86 -31.68 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 26' ' ' THR . 6.0 mt -139.69 159.83 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.4 t-80 -58.55 168.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.551 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.843 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' HD2' ' A' ' 191' ' ' HIS . 15.7 t -90.79 -47.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.57 -31.92 68.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 52.15 21.98 9.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -97.35 169.29 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.625 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.1 p -52.79 119.43 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.3 mmm -80.87 -55.49 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -69.0 -54.59 14.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.65 127.29 30.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 44' ' ' ILE . 2.1 t -104.0 136.92 19.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.98 145.72 31.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -67.8 140.97 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.61 -10.3 75.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.587 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -107.35 166.88 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 110.977 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -145.65 164.65 31.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.075 . . . . 0.0 110.288 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.966 HG12 HG22 ' A' ' 99' ' ' VAL . 27.5 mt -109.4 150.71 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -136.71 125.1 23.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.662 HD12 HD21 ' A' ' 141' ' ' LEU . 2.9 mt -102.58 129.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 138' ' ' ILE . 23.6 m-85 -145.31 140.04 27.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.59 109.81 21.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.577 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.41 5.17 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 89.74 -132.32 11.2 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 t -40.34 109.86 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 96' ' ' VAL . 55.2 p90 -83.89 -1.82 55.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 38.1 m0 -71.46 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.032 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -77.45 -38.97 27.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 51' ' ' CYS . 70.1 t -58.36 -56.78 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 43.1 tt0 -57.84 -34.35 69.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -59.53 -57.02 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -60.82 -31.73 71.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.887 ' CD2' HD11 ' A' ' 98' ' ' ILE . 8.6 m-30 -72.3 -54.17 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.717 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.72 -37.4 86.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 37.4 mt-30 -77.5 0.33 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -80.58 138.74 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.829 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.04 111.02 3.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.78 -5.85 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.54 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 1.5 t80 -71.18 -42.91 68.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 99' ' ' VAL . 67.1 m -168.28 162.02 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.545 HG22 ' HA ' ' A' ' 98' ' ' ILE . 54.1 p -139.2 169.2 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 97' ' ' ARG . . . -146.17 157.68 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.62 144.99 46.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -176.84 -165.03 31.66 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.917 ' CD1' HG21 ' A' ' 85' ' ' VAL . 62.8 m-85 -129.25 153.07 48.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.29 167.42 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.7 -29.08 13.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.18 -176.03 47.97 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -104.68 -38.51 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 31.4 m -51.02 118.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.02 149.75 37.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.4 m120 49.77 63.79 9.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -75.04 150.65 38.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 85' ' ' VAL . 89.7 m -124.17 163.92 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.12 -50.35 71.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -61.29 -30.54 70.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.827 ' HB3' HG21 ' A' ' 90' ' ' THR . 0.8 OUTLIER -69.14 -49.76 54.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.917 HG21 ' CD1' ' A' ' 72' ' ' TYR . 47.9 t -61.01 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -49.89 -40.24 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -70.14 -34.41 73.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.058 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 78.52 20.09 72.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.1 23.69 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.827 HG21 ' HB3' ' A' ' 84' ' ' GLU . 60.3 p -117.05 -35.2 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.28 -1.75 82.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 58.3 m-70 -77.85 150.3 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 133' ' ' GLN . . . -114.51 168.51 9.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 115.36 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.21 155.18 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.6 m -144.41 151.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HG2' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.887 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.5 mp -118.03 123.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.966 HG22 HG12 ' A' ' 44' ' ' ILE . 3.7 t -105.82 115.75 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.397 1.06 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CD2' HD11 ' A' ' 110' ' ' LEU . 15.5 p90 -134.56 163.42 29.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.188 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 105' ' ' ILE . 2.5 t0 -106.12 138.11 19.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -7.78 19.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 t -90.16 -25.58 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.18 -61.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 15.9 tt -118.42 162.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -115.74 159.86 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 3.7 p90 -60.43 -39.06 86.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -60.89 -37.16 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.84 -46.13 88.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.636 HD11 ' CD2' ' A' ' 100' ' ' TYR . 33.0 mt -56.53 -45.38 81.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 138' ' ' ILE . 25.8 mt -57.01 -42.62 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.64 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.021 HG21 HD11 ' A' ' 62' ' ' LEU . 6.9 t -54.04 -52.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 m-30 -68.28 -45.15 73.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -41.62 -29.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' PHE . 21.1 mt-10 -104.69 -43.15 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.552 ' O ' ' HE2' ' A' ' 49' ' ' MET . 0.4 OUTLIER -91.74 36.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -170.16 162.28 8.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.9 t70 -132.01 125.79 20.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.164 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.783 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.29 50.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.75 -20.08 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.786 ' H ' HG21 ' A' ' 170' ' ' THR . . . 75.49 -150.15 39.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.391 1.057 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.4 ptm -84.99 45.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -153.4 150.3 28.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 134' ' ' TYR . 65.5 tp60 -128.64 118.65 23.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.09 -114.69 7.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.397 1.061 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.51 19.85 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.21 160.31 19.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -118.55 152.22 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.39 141.69 3.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.901 HG21 ' HB2' ' A' ' 8' ' ' LEU . 57.3 p -72.74 -13.03 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 93' ' ' ALA . 5.9 pm0 -93.57 -5.11 49.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 4.0 m-30 -97.94 37.62 1.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -88.05 -174.23 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.2 m -120.07 125.65 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.83 149.74 20.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.818 HG23 ' CE1' ' A' ' 47' ' ' PHE . 56.4 mt -118.28 138.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.38 86.88 44.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.4 Cg_endo -75.09 173.01 15.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.662 HD21 HD12 ' A' ' 46' ' ' ILE . 4.6 mm? -112.02 -22.45 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -112.95 163.78 17.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.51 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.8 -32.07 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 59.5 tt0 -74.99 -34.13 61.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -47.35 63.34 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -55.86 -42.53 75.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.07 65.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.21 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.74 -35.58 81.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.97 -43.54 98.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.7 p -61.47 -34.51 75.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.0 tt -57.61 -51.0 71.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.57 -33.99 77.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -25.75 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -73.98 -43.12 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 111.05 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.757 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -54.13 -35.57 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.21 -45.62 17.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.15 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.48 91.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 157' ' ' GLN . 6.2 mp -61.43 -37.96 85.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.49 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.6 22.84 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.87 31.83 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.12 100.34 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.58 13.87 12.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -53.68 144.24 18.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -76.8 130.8 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.878 ' CG2' HG22 ' A' ' 171' ' ' THR . 9.2 mm -65.88 125.39 22.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.786 HG21 ' H ' ' A' ' 123' ' ' GLY . 10.8 t -103.67 -23.78 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.878 HG22 ' CG2' ' A' ' 169' ' ' ILE . 8.9 t -50.05 132.63 23.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 139.95 51.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.22 138.65 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.38 145.17 22.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.12 150.4 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.97 128.95 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -104.8 171.3 5.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.11 5.37 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.412 1.743 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 37.2 p90 -60.9 149.97 34.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -108.24 129.07 55.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.442 ' CB ' HG22 ' A' ' 24' ' ' VAL . 27.3 m-85 -61.55 141.31 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.461 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -89.91 170.21 10.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 187' ' ' GLN . 4.2 tt0 -52.04 150.63 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -44.21 76.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -27.38 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -92.99 -45.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 2.7 mt-30 -50.01 125.53 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.701 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 7.0 mp0 58.27 48.56 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 81.1 t80 -62.04 -54.74 37.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -48.97 -24.84 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.843 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.43 -37.89 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 192' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' TYR . 1.8 tppp? -77.78 -32.12 52.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.524 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -124.0 102.61 34.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.36 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -106.09 24.59 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -85.19 -170.06 46.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.598 ' O ' HD21 ' A' ' 190' ' ' LEU . 2.5 m-85 -67.7 118.39 10.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -139.97 43.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.246 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -121.84 129.04 7.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.36 148.09 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -141.76 148.7 20.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 96.19 46.61 2.57 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.78 161.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 0.722 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.79 70.74 0.12 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 13.9 t -139.17 142.68 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.28 115.14 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 17.4 mt -65.77 -45.38 65.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.1 Cg_endo -75.09 113.18 3.73 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.494 1.786 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -75.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.062 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.29 150.58 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.54 14.51 20.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 6.1 p90 -60.61 122.95 16.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.02 89.4 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.6 9.76 15.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.35 94.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 100.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.819 HD23 HG21 ' A' ' 132' ' ' THR . 0.6 OUTLIER -96.78 157.22 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.682 HG12 HD13 ' A' ' 8' ' ' LEU . 9.8 p -49.83 149.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.01 170.84 9.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -41.97 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.98 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.71 -38.16 18.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.71 158.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.6 mm? -51.47 154.51 3.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.83 15.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.64 163.67 24.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -116.6 141.37 48.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -79.76 74.71 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -149.84 99.45 3.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.23 28.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.21 114.73 57.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.93 40.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 181' ' ' TYR . 74.9 t -104.83 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 161.38 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.489 HG22 ' HG ' ' A' ' 27' ' ' LEU . 18.4 m -75.48 -43.79 47.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 26' ' ' THR . 12.7 mt -134.84 152.59 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.5 t-80 -59.7 169.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -74.45 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 17.0 t -91.41 -53.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.56 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 14.6 m120 -56.96 -25.87 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 49.18 20.68 2.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 24.2 m170 -100.74 158.03 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m -53.95 124.44 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.919 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 5.1 mmm -76.68 -46.33 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -80.09 -53.67 6.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.1 133.22 55.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 42' ' ' MET . 30.7 t -129.65 131.12 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 148.57 35.35 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.428 1.752 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 129.78 42.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.87 -11.54 52.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.412 ' HB3' HG13 ' A' ' 38' ' ' VAL . 24.7 tpp -95.88 156.2 16.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.07 164.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.923 HG12 HG22 ' A' ' 99' ' ' VAL . 8.2 mt -112.93 149.31 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.366 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -132.7 125.0 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.875 HD11 ' CE1' ' A' ' 179' ' ' PHE . 4.3 mt -99.35 125.03 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -140.03 144.67 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -118.19 118.59 32.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.598 ' HB2' HG11 ' A' ' 55' ' ' VAL . 12.6 mtp -137.36 28.56 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.52 -135.51 14.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -42.03 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p90 -80.85 -1.34 42.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.63 ' CZ2' ' CE2' ' A' ' 189' ' ' TYR . 51.4 m0 -70.6 -60.32 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.029 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.54 -42.86 20.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.567 1.167 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 49' ' ' MET . 75.9 t -54.32 -53.35 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 9.3 tt0 -62.36 -33.95 75.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.584 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -61.27 -56.56 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -58.38 -32.55 68.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.539 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.1 m-85 -67.54 -55.57 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.584 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.24 -17.32 63.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 26.1 mt-30 -83.9 -7.03 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.8 mt -85.55 137.74 36.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 109.79 2.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.45 -8.98 5.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 72.4 t -91.71 115.54 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.473 ' C ' ' CG2' ' A' ' 68' ' ' THR . 4.6 m -173.87 157.72 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 2.0 p -152.11 155.09 37.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.919 ' HB2' ' CE ' ' A' ' 35' ' ' MET . . . -146.23 145.63 30.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -78.8 146.55 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 181' ' ' TYR . . . -157.73 179.89 33.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CE1' ' HD2' ' A' ' 80' ' ' PRO . 19.8 p90 -122.71 153.56 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -170.19 164.55 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.83 -16.79 57.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -94.62 -177.71 38.34 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -114.83 -29.53 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 89.5 m -49.84 124.07 15.87 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.96 126.64 10.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.444 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.9 m120 39.83 62.87 5.28 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.09 169.96 21.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 m -104.41 150.46 24.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.69 -45.77 70.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -35.88 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 10.4 mt-10 -69.4 -50.33 46.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.232 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -46.0 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 t -50.04 -37.88 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -69.84 -47.18 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.87 24.79 12.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.5 12.33 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 40.2 p -111.93 -34.92 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.14 -0.51 69.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 81.3 m-70 -78.67 150.27 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 0.787 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -122.38 168.16 12.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -72.59 134.7 45.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.53 150.27 23.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 70' ' ' ALA . 16.1 m -138.07 131.72 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -88.52 122.51 32.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.539 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.4 mp -109.02 127.04 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 HG12 ' A' ' 44' ' ' ILE . 3.6 t -104.82 113.95 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 110' ' ' LEU . 22.5 p90 -134.13 165.52 24.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.45 138.84 20.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.61 21.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -90.13 -10.42 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.547 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.3 t -114.0 -64.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 16.7 tt -113.96 163.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -112.72 163.59 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 145' ' ' GLN . 20.8 t80 -66.96 -45.27 78.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -39.88 50.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -59.02 -38.81 80.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 100' ' ' TYR . 77.5 mt -72.67 -52.69 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.904 HD22 ' OG ' ' A' ' 152' ' ' SER . 0.1 OUTLIER -58.47 -33.66 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.596 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.8 tt0 -63.81 -56.1 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -61.07 -32.14 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.503 ' HB3' ' O ' ' A' ' 111' ' ' LEU . 8.7 t80 -48.2 -53.66 16.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 15.0 p-90 -95.52 -30.67 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 33.7 tt0 -72.5 -4.47 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' HG22 ' A' ' 113' ' ' VAL . 0.7 OUTLIER -132.63 10.75 4.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' TRP . 1.0 OUTLIER -170.03 153.12 4.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 122' ' ' GLN . 1.9 p-10 -96.65 117.17 66.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 170' ' ' THR . 18.2 Cg_endo -75.01 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.0 49.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.428 ' CB ' ' OD1' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -100.43 -12.55 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.07 -166.92 54.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.4 mtt -71.32 62.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -176.9 155.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.428 ' NE2' ' N ' ' A' ' 200' ' ' ILE . 8.9 tm0? -136.62 130.1 31.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.64 -117.06 6.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.53 11.5 34.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 14.2 m-20 -108.82 140.4 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -118.56 153.37 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.663 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.63 161.67 9.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.819 HG21 HD23 ' A' ' 8' ' ' LEU . 74.2 p -82.07 -1.9 50.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.373 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 4.4 pt20 -92.74 -23.55 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 29.6 m-85 -89.58 35.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 147.68 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -84.66 133.96 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.76 147.27 24.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.454 HG22 ' HD3' ' A' ' 140' ' ' PRO . 13.6 mt -113.8 125.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 49.4 m-85 -119.98 87.23 38.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 175.61 11.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.59 1.837 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -120.48 -48.53 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.51 HG23 ' OE1' ' A' ' 145' ' ' GLN . 2.0 p -90.6 167.99 15.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -29.34 8.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.4 -30.33 68.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.544 ' HG2' ' CD2' ' A' ' 107' ' ' TYR . 87.9 mt-30 -71.85 -48.14 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 142' ' ' THR . 1.7 m-20 -53.16 -48.59 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.0 74.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.5 -38.88 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB1' HG12 ' A' ' 173' ' ' ILE . . . -57.9 -51.06 71.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -64.4 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.904 ' OG ' HD22 ' A' ' 111' ' ' LEU . 31.5 m -56.67 -46.88 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 169' ' ' ILE . 5.3 tt -61.63 -50.94 70.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.27 -39.92 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -47.91 27.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 160' ' ' MET . 32.2 t80 -61.91 -33.14 73.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.9 tt0 -52.59 -37.74 58.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.74 -43.53 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.81 77.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.556 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 8.7 mtp -56.33 -49.32 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.16 -36.63 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.28 -21.74 66.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -99.18 26.62 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.5 32.45 19.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -117.2 97.04 5.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.96 11.29 18.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.71 160.93 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.99 138.89 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.647 HD13 ' HG ' ' A' ' 153' ' ' LEU . 4.3 mt -66.29 113.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -74.35 -24.0 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.63 123.7 12.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -117.13 118.3 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.652 HG12 ' HB1' ' A' ' 149' ' ' ALA . 5.2 mt -92.83 120.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.47 39.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -47.96 155.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -83.18 130.1 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.521 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.3 OUTLIER -99.94 -176.5 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.97 56.48 4.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.037 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.875 ' CE1' HD11 ' A' ' 46' ' ' ILE . 23.2 p90 -61.03 150.48 33.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -124.04 137.55 54.57 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -76.73 152.34 35.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.462 ' O ' ' CE2' ' A' ' 181' ' ' TYR . . . -79.16 170.1 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 152.45 19.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ASP . . . . . 0.462 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 0.8 OUTLIER -53.36 -29.92 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -45.86 68.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.31 -32.44 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.633 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 83.8 mm-40 -49.76 135.7 18.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.4 mp0 42.24 51.52 4.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.224 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.63 ' CE2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 t80 -64.72 -49.01 72.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -23.11 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -77.16 -49.86 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.51 57.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.12 96.45 12.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.17 21.4 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -109.6 13.27 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -61.62 -150.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 197' ' ' TYR . 3.0 p90 -137.23 133.8 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.5 p -116.58 140.63 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -93.65 -34.2 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.428 ' N ' ' NE2' ' A' ' 126' ' ' GLN . 8.8 tt -52.53 150.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 150.17 70.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.488 1.117 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.83 75.47 0.26 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 pp -121.02 157.08 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 127.16 73.09 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.392 1.058 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 16.1 t -133.32 117.42 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.45 124.05 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.57 154.28 52.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.86 9.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.37 17.7 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 105.47 14.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt -108.62 -45.05 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -139.49 159.88 41.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -118.3 55.73 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 8.87 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -46.88 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.733 ' O ' ' HE1' ' A' ' 124' ' ' MET . 0.3 OUTLIER -79.5 56.26 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.55 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -151.19 129.5 12.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.6 p -37.57 143.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.63 168.84 21.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.438 1.757 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 -22.79 58.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -82.57 -40.07 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -49.56 160.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.1 112.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.01 3.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.14 -164.35 12.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -166.87 144.34 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.99 169.05 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -70.2 155.83 92.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.86 35.84 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.462 1.769 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.62 152.92 37.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.4 1.063 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.91 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.13 145.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 150.38 40.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.4 m -75.78 -39.03 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -128.03 -175.22 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -86.77 168.59 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.5 -65.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.6 t -90.72 -47.47 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.28 -33.54 69.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 58.23 14.42 18.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' HIS . 57.1 m170 -100.84 168.4 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.21 119.44 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ptp -80.4 -15.45 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -84.96 -50.4 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.73 134.46 48.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 t -114.78 128.23 26.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.64 31.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.759 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.06 125.62 24.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.33 -13.73 56.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.5 tpp -86.34 152.78 22.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.737 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.28 162.54 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' NE ' ' A' ' 97' ' ' ARG . 5.8 mt -112.43 154.58 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -145.08 125.12 13.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.617 HG22 ' HD2' ' A' ' 139' ' ' TYR . 55.5 mt -110.86 130.47 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 52.0 m-85 -147.54 147.81 30.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -111.9 124.89 53.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -141.86 17.73 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 91.21 -140.48 15.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 55' ' ' VAL . 29.8 p -40.81 111.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 96' ' ' VAL . 39.3 p90 -76.96 -5.75 49.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.802 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 21.5 m0 -71.86 -57.42 4.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -76.3 -34.75 44.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.584 HG12 ' CE2' ' A' ' 59' ' ' PHE . 54.8 t -66.14 -49.88 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 31.3 tt0 -71.94 -20.71 61.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.614 ' HD2' HD12 ' A' ' 190' ' ' LEU . 3.2 ttt-85 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.717 HD22 ' OD1' ' A' ' 117' ' ' ASN . 1.2 pp -73.82 -39.04 64.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CE2' HG12 ' A' ' 55' ' ' VAL . 10.4 m-30 -54.79 -52.23 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -58.75 -53.47 58.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 36.8 mt-30 -69.67 -2.68 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 105' ' ' ILE . 2.1 tt -67.14 134.28 93.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 107.32 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 121.8 -3.07 10.92 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.6 t -97.51 116.33 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -73.69 -49.77 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 m -151.27 166.77 29.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -139.98 167.24 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.473 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.43 154.39 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.953 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -116.31 142.63 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -166.99 -168.91 29.88 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 23.2 m-85 -141.16 149.49 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 4.6 t -169.86 176.33 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.14 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.52 -167.08 17.32 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -113.4 -46.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 27.4 m -49.84 121.29 12.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 142.48 27.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 16.3 m120 46.36 64.36 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.06 169.94 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 22.0 m -124.71 157.69 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.63 -49.84 61.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -57.21 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.84 -46.02 67.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' THR . 83.9 t -66.0 -37.22 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -39.53 63.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 108.372 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 m -67.82 -38.5 83.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 22.8 42.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 1.1 m-20 -100.32 9.5 42.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -100.9 -27.73 13.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 94.53 -11.66 69.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 62.4 m-70 -79.16 147.96 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.37 171.52 7.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -76.34 114.75 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.252 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.61 49.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.953 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.7 m -142.43 145.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HE ' HD11 ' A' ' 46' ' ' ILE . 4.6 mtt180 -94.55 125.66 39.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.577 HD11 ' HD2' ' A' ' 59' ' ' PHE . 2.8 mp -115.57 133.82 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' TYR . 46.2 t -109.97 114.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 3.0 p90 -138.9 164.52 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.381 1.051 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.57 138.94 20.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 -18.88 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.51 HG11 ' HA2' ' A' ' 64' ' ' GLY . 52.9 t -103.04 -57.69 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 14.5 tt -120.04 161.66 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -111.1 158.86 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 13.6 p90 -65.2 -33.74 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.608 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 13.7 pt-20 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 77.1 mt-30 -57.45 -43.14 83.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.45 -49.89 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 12.7 mt -54.77 -48.73 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -35.02 79.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 114' ' ' PHE . 1.2 t -58.68 -37.5 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 9.4 m-85 -69.73 -46.07 66.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.714 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 5.5 m95 -69.78 -19.93 63.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.95 -9.31 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.717 ' OD1' HD22 ' A' ' 58' ' ' LEU . 11.7 m-80 -114.14 -11.99 12.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.569 ' CE1' HG13 ' A' ' 200' ' ' ILE . 0.2 OUTLIER -168.14 170.22 10.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.507 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' ALA . 0.8 OUTLIER -113.15 132.97 22.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 30.55 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -139.29 50.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.56 -15.82 19.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.52 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 78.57 -164.49 50.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.733 ' HE1' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -71.93 58.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.724 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 179.33 168.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.91 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.32 -123.09 22.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -100.58 8.71 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.76 132.59 51.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -116.79 135.21 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.01 167.23 27.39 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.566 HG23 ' HE2' ' A' ' 124' ' ' MET . 57.9 m -81.17 -6.92 59.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 0.808 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.463 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm0? -92.89 -27.92 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -89.25 68.98 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.406 HH11 ' HE3' ' A' ' 124' ' ' MET . 2.7 ttp180 -125.07 -174.23 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 6.6 t -118.91 122.63 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -149.23 162.31 40.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.714 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 60.9 mt -129.39 128.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.617 ' HD2' HG22 ' A' ' 46' ' ' ILE . 32.6 m-85 -117.61 83.74 18.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.663 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -74.96 168.49 24.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.4 -31.45 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 56.5 p -108.43 162.1 21.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -21.45 15.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -32.87 60.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -71.16 -43.23 67.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -61.88 -40.58 95.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.97 -40.86 98.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.0 64.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.99 -54.24 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 146' ' ' ASP . 0.1 OUTLIER -66.36 -31.77 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.01 -34.77 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.265 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -80.07 -22.33 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 153' ' ' LEU . 2.9 tt -67.36 -50.57 59.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.97 -33.79 75.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.74 -48.81 80.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -74.3 -30.41 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.66 -41.04 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.612 1.195 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.75 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -69.66 -26.09 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.01 -41.26 97.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.23 -44.59 87.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.41 63.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.81 15.61 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.2 t70 62.48 19.19 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 101.08 10.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 3.84 27.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 155.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -98.26 141.35 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.489 HG12 HD21 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -68.39 116.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.52 HG21 ' HA2' ' A' ' 123' ' ' GLY . 38.0 p -107.17 18.74 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 14.3 t -89.11 149.77 23.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 139.87 47.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 25.4 mt -117.73 117.84 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.38 145.93 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -44.86 154.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -59.83 121.45 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.94 164.89 15.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -108.09 150.26 27.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 1.7 p90 -107.28 136.65 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.45 ' O ' ' CD1' ' A' ' 180' ' ' TYR . 55.7 m-85 -61.6 144.47 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.37 167.94 13.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.62 161.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.03 -34.42 64.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -22.61 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -102.57 -35.68 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.572 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.73 117.5 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 0.8 OUTLIER 58.68 47.53 12.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.802 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 18.4 t80 -66.41 -56.02 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.402 1.063 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -64.3 -14.07 53.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.594 ' N ' ' ND1' ' A' ' 191' ' ' HIS . 0.1 OUTLIER -84.44 -37.09 21.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -76.37 -32.46 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 195' ' ' TYR . 0.2 OUTLIER -128.83 96.5 29.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.422 1.748 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 193' ' ' ASN . 3.1 p90 -93.09 -4.51 52.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.92 -148.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.523 ' O ' HD21 ' A' ' 190' ' ' LEU . 20.5 p90 -138.95 140.18 38.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 199' ' ' GLY . 4.8 p -131.46 -49.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 198' ' ' CYS . . . 37.45 60.06 1.19 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 118' ' ' HIS . 4.2 tt -109.57 -48.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -50.24 118.77 6.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 149.21 95.75 0.15 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.844 HD12 ' N ' ' A' ' 204' ' ' GLY . 2.7 pp -130.37 -55.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.844 ' N ' HD12 ' A' ' 203' ' ' ILE . . . 64.48 69.18 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 203' ' ' ILE . 71.8 t -135.72 125.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.73 150.47 21.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.09 157.5 65.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 130.71 13.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.534 1.808 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.39 20.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.86 144.88 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -99.12 15.11 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.89 -43.78 94.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -114.19 149.06 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.193 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -73.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -54.31 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.5 ' O ' ' HE3' ' A' ' 124' ' ' MET . 2.1 p80 -108.8 -55.95 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.783 HD12 HG12 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -148.88 170.56 18.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.783 HG12 HD12 ' A' ' 8' ' ' LEU . 8.6 p -38.55 145.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.86 170.21 10.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.23 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.25 -17.47 60.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.399 1.062 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.771 ' HB3' HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -78.97 -44.05 23.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -49.28 161.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.33 112.51 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 54.52 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 77' ' ' THR . . . -139.43 -173.08 12.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -161.89 140.84 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.55 ' HB2' HG23 ' A' ' 81' ' ' THR . 2.7 m120 -101.46 168.69 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -72.03 159.56 85.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 143.05 28.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.73 151.49 38.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -111.17 151.16 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 152.6 43.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.8 m -74.28 -34.71 63.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 26' ' ' THR . 11.9 mt -138.1 148.04 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.6 t-80 -50.79 170.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.83 -64.17 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.6 t -91.6 -51.47 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.0 OUTLIER -57.67 -23.31 50.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 39.63 29.52 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ASN . 12.4 m170 -99.6 165.71 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.584 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 p -64.38 119.29 10.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -55.29 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -64.78 -53.36 48.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 44' ' ' ILE . 3.6 t -125.41 136.71 28.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.92 146.77 33.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.609 1.847 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 122.92 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.68 -8.27 43.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 tpp -98.7 143.44 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -126.45 164.33 21.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.87 HG12 HG22 ' A' ' 99' ' ' VAL . 3.0 mt -115.33 152.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -133.06 124.49 27.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 3.3 mt -101.39 127.5 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 35.9 m-85 -150.12 155.21 39.41 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -119.36 113.57 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 21.92 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 85.19 -141.64 19.26 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -41.98 108.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.947 ' CD2' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.89 2.7 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 40.2 m0 -74.31 -53.06 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.975 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.76 -27.13 59.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 51' ' ' CYS . 34.3 t -73.04 -56.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 20.7 pt-20 -50.79 -51.63 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.0 -24.04 64.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 4.8 tp -68.61 -41.01 80.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 98' ' ' ILE . 34.0 m-85 -85.86 -33.21 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.54 -51.81 68.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 107.965 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -72.25 -4.04 27.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 113' ' ' VAL . 3.0 tt -83.01 137.34 43.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.544 1.812 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.73 -15.77 7.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.5 t -93.74 123.79 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -81.69 -46.34 14.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 167.15 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -134.64 169.82 16.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -160.02 145.73 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.947 ' HB1' ' CD2' ' A' ' 52' ' ' PHE . . . -108.44 149.91 28.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -172.35 -158.64 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.76 ' CE1' HG11 ' A' ' 85' ' ' VAL . 41.7 m-85 -148.27 147.83 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.5 t -170.42 164.07 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.42 -14.9 54.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -82.12 -157.47 20.63 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -116.93 -45.75 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 17' ' ' GLY . 43.4 m -55.35 118.2 17.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -75.01 133.3 16.41 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 58.54 59.0 6.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.08 167.45 26.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.822 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 19' ' ' ASN . 64.5 p -125.48 149.21 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.2 -29.69 14.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.79 -60.75 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 13.8 pt-20 -66.14 -44.88 82.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 72' ' ' TYR . 48.4 t -53.21 -39.81 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.3 t -54.76 -41.65 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -44.33 83.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.88 21.42 23.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -98.03 26.47 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.96 -35.43 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' HA2' HD13 ' A' ' 8' ' ' LEU . . . 94.3 -2.74 68.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.58 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 87.6 m-70 -80.97 142.71 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.19 160.07 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.7 tp10 -70.03 116.17 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.401 ' N ' ' OE1' ' A' ' 94' ' ' GLU . . . -125.04 156.39 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 70' ' ' ALA . 2.0 t -139.96 135.42 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -94.63 114.13 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.1 mt -104.57 123.58 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.87 HG22 HG12 ' A' ' 44' ' ' ILE . 45.3 t -101.73 114.33 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 5.3 p90 -135.13 165.17 26.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.92 135.76 19.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.11 17.65 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.09 -20.68 22.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.72 -65.6 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.4 tt -110.0 164.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -123.04 152.37 41.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -54.81 -41.06 70.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.643 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.5 tt0 -55.84 -41.42 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.74 -38.44 86.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 110' ' ' LEU . 19.6 mt -65.47 -50.62 64.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.658 HD13 ' HA ' ' A' ' 149' ' ' ALA . 74.4 mt -53.91 -38.39 64.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -66.0 -45.32 82.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.613 1.196 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 62' ' ' LEU . 2.5 t -53.76 -48.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.675 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 19.5 m-85 -49.78 -55.41 14.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 7.0 m95 -66.11 -19.89 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' O ' HG21 ' A' ' 203' ' ' ILE . 2.2 tp10 -89.12 -9.07 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.56 ' HB3' HD11 ' A' ' 200' ' ' ILE . 1.6 m-80 -112.14 -31.37 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.4 145.05 9.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.655 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.79 155.26 85.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 0.44 8.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.42 50.15 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 134' ' ' TYR . 12.9 pt20 -78.39 -12.85 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.06 -179.56 27.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.5 ' HE3' ' O ' ' A' ' 7' ' ' HIS . 1.8 ttm -71.96 63.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.05 170.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 134' ' ' TYR . 10.6 tp60 -148.55 114.32 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.68 -119.28 17.63 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.95 11.86 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.535 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 0.2 OUTLIER -111.29 131.01 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -118.02 145.44 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.98 -178.16 27.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.0 p -90.24 -3.24 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -92.61 -1.43 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 57.7 m-85 -121.93 47.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 177.77 4.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.07 126.51 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.64 148.51 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 47' ' ' PHE . 43.8 mt -122.0 129.67 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.418 ' CE1' ' OG1' ' A' ' 177' ' ' THR . 42.4 m-85 -128.41 87.11 56.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.5 Cg_endo -75.0 171.63 17.94 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.431 HD21 HD12 ' A' ' 46' ' ' ILE . 4.3 mm? -113.33 -32.58 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.3 p -104.34 162.58 19.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -28.41 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.99 -30.87 65.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 65.8 mt-30 -72.37 -41.3 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -46.81 88.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.08 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.05 73.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.658 ' HA ' HD13 ' A' ' 111' ' ' LEU . . . -57.82 -51.07 71.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -69.5 -38.5 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.85 -38.52 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.403 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.4 p -80.44 -34.93 35.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 169' ' ' ILE . 6.7 tt -60.98 -51.96 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.66 -43.25 99.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -42.89 91.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 5.2 t80 -70.55 -29.83 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.505 ' O ' HD12 ' A' ' 161' ' ' LEU . 4.4 tt0 -54.38 -45.36 72.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.68 -34.01 35.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -59.04 -56.46 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.487 ' HA ' HG13 ' A' ' 205' ' ' VAL . 6.1 ptt? -62.51 -35.47 79.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -59.36 -46.52 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -55.75 -22.74 25.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 206' ' ' CYS . . . -88.1 11.12 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER 80.78 -1.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.3 91.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 16.83 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.24 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.402 ' O ' ' CE ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -68.5 156.75 37.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -97.41 127.3 43.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.671 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 153' ' ' LEU . 1.8 mt -60.1 116.44 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 170' ' ' THR . 0.6 OUTLIER -91.4 15.55 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.0 m -83.09 138.71 33.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 127.55 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.62 116.89 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.23 156.12 42.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -45.54 144.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -53.71 118.54 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.418 ' OG1' ' CE1' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -86.02 168.13 20.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.0 72.55 4.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.85 148.55 39.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.12 130.31 56.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.426 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 28.2 m-85 -59.6 138.4 57.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.03 168.71 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 8.9 mt-10 -46.16 147.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -32.96 74.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -32.8 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 33.8 m-70 -85.05 -36.37 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -50.88 110.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 188' ' ' GLN . 3.8 mm-40 56.72 57.85 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 27.9 t80 -71.2 -45.06 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 193' ' ' ASN . 5.8 mt -67.24 -10.09 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -69.69 -31.97 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.583 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -83.41 -36.85 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.739 ' O ' HD23 ' A' ' 190' ' ' LEU . 6.2 p-10 -129.14 104.97 18.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -13.61 21.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -101.42 12.89 36.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.687 ' HA3' HD21 ' A' ' 193' ' ' ASN . . . -70.01 -158.29 2.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.67 144.74 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.07 -48.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.335 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 43.7 52.29 6.56 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 117' ' ' ASN . 5.0 tp -105.59 -46.19 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 0.807 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -41.36 121.65 2.26 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.24 57.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.751 ' H ' HD13 ' A' ' 203' ' ' ILE . 0.2 OUTLIER -126.49 170.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 130.02 78.22 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.487 HG13 ' HA ' ' A' ' 160' ' ' MET . 1.1 t -137.41 151.13 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' CYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 163' ' ' ALA . 0.1 OUTLIER -47.82 102.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 108.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 0.1 OUTLIER -81.23 136.53 49.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -75.04 155.57 42.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.4 Cg_endo -74.96 55.6 3.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -84.46 -39.96 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.4 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.193 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.69 29.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -112.28 127.78 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 152.53 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 27' ' ' LEU . 22.3 m -74.81 -39.92 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 26' ' ' THR . 18.3 mt -133.05 168.61 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.0 t-80 -64.6 169.06 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.58 -64.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 191' ' ' HIS . 9.9 t -91.13 -49.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.36 -27.62 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.21 25.76 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' ASN . 2.8 m170 -100.46 -171.82 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.43 121.16 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -48.59 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.1 p -98.16 -49.64 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -51.44 127.04 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -116.47 133.54 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.44 36.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.39 119.38 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.0 31.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.478 ' HG3' HG12 ' A' ' 99' ' ' VAL . 23.0 tpp -88.91 144.58 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.744 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.4 mt-10 -128.46 164.32 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 99' ' ' VAL . 7.1 mt -110.77 155.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -142.34 129.74 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.8 mp -111.03 124.99 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 25.3 m-85 -145.69 143.5 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.74 113.65 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 55' ' ' VAL . 3.5 mmm -126.16 18.85 7.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.24 -136.83 13.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -41.5 110.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 39.0 p90 -82.41 -2.65 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 47.5 m0 -70.7 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.78 -44.19 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 49' ' ' MET . 79.8 t -51.88 -57.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 6.3 tt0 -56.07 -40.89 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -53.86 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -55.42 -48.13 74.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 5.0 m-85 -60.63 -32.19 71.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CD1' ' NE2' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -75.13 -39.87 60.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -72.75 -3.8 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.067 HD11 HG11 ' A' ' 113' ' ' VAL . 19.5 mt -82.28 142.26 47.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.71 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 119.45 -15.47 10.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 59' ' ' PHE . 59.5 t -88.11 114.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.28 -52.97 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -148.66 158.97 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.5 p -136.77 160.01 40.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.87 157.48 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.946 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.42 141.55 49.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -175.78 -159.31 21.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.98 151.92 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.85 171.2 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.71 -16.18 59.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.16 -171.9 47.77 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -113.99 -31.94 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -58.43 120.17 42.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.85 15.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 9.9 m120 52.4 63.97 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.541 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 169.04 23.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.429 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 78.2 m -122.19 152.54 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -50.52 -46.93 57.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.0 -39.01 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.0 mt-10 -68.1 -49.4 61.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 133' ' ' GLN . 81.6 t -60.85 -36.39 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -37.73 72.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -48.73 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.12 19.4 21.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.6 17.16 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 62.0 p -113.58 -29.03 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.23 3.78 86.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.5 m-70 -84.18 143.84 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.63 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.38 166.68 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -69.8 116.58 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.31 151.4 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.7 m -141.65 141.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' A' ' 179' ' ' PHE . 17.2 mtt-85 -94.75 116.54 28.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.712 HG23 HG13 ' A' ' 65' ' ' VAL . 3.2 mp -108.23 132.02 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 44' ' ' ILE . 17.1 t -110.74 114.0 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD2' ' CD1' ' A' ' 110' ' ' LEU . 4.7 p90 -134.29 165.92 24.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' SD ' ' A' ' 42' ' ' MET . 0.8 OUTLIER -99.35 137.66 20.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.5 21.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -17.56 30.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.4 t -101.98 -65.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 20.4 tt -109.75 157.1 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 p -117.26 144.52 44.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.4 p90 -49.85 -33.62 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -60.45 -42.84 96.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -64.73 -48.91 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 17.1 mt -55.28 -52.5 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 9.9 mt -54.77 -45.83 74.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 116' ' ' GLU . 9.1 tt0 -58.71 -46.37 87.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.067 HG11 HD11 ' A' ' 62' ' ' LEU . 39.5 t -55.49 -42.62 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.808 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 4.3 m-30 -61.64 -33.78 74.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 16.4 m95 -86.23 -19.91 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' GLN . 1.1 tt0 -93.69 -9.06 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' A' ' 58' ' ' LEU . 2.5 m-80 -113.88 -35.91 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -135.0 168.06 19.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.63 144.01 28.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.03 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.61 50.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -93.79 12.91 24.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.475 ' N ' HG21 ' A' ' 170' ' ' THR . . . 40.79 -149.72 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.464 ' HG2' HG23 ' A' ' 132' ' ' THR . 0.0 OUTLIER -87.02 44.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 111.013 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.422 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -154.62 151.04 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -139.69 115.97 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.17 -117.44 10.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.13 24.92 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 2.6 m-20 -115.05 146.13 41.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -119.9 142.8 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 149.52 5.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 124' ' ' MET . 20.6 m -76.75 0.24 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 85' ' ' VAL . 17.3 pt20 -95.21 -0.24 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 19.8 m-85 -110.06 40.1 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -164.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -139.72 123.57 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.78 161.83 41.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.52 HG22 ' HD3' ' A' ' 140' ' ' PRO . 9.1 mt -130.34 138.93 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 177' ' ' THR . 62.3 m-85 -134.15 87.25 34.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.97 176.61 9.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.1 mm? -112.93 -31.87 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -109.6 167.46 9.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -32.32 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.53 -41.71 62.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -62.97 -44.41 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.09 -38.03 87.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.68 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.04 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -64.07 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.449 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 20.6 p -59.0 -37.28 76.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.572 HD12 HG22 ' A' ' 171' ' ' THR . 6.1 tt -61.82 -50.47 72.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.54 -36.66 69.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.39 83.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 1.1 t80 -64.58 -35.58 81.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.483 ' O ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -52.64 -41.88 64.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.71 -35.47 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -63.88 -35.17 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.24 -49.59 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 157' ' ' GLN . 2.2 mm? -52.53 -38.1 59.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -63.79 -30.22 71.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.69 24.2 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.4 t0 47.7 31.98 2.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.21 99.54 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.39 10.17 18.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.9 159.16 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -98.5 122.86 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.56 124.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.7 t -100.62 -20.51 15.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.572 HG22 HD12 ' A' ' 153' ' ' LEU . 1.1 m -55.76 132.7 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.14 126.78 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.446 ' CG2' ' OD2' ' A' ' 146' ' ' ASP . 2.3 mp -103.89 132.48 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.41 162.76 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -52.11 140.23 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.04 128.85 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 139' ' ' TYR . 2.5 p -101.27 167.4 10.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.99 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -115.62 124.94 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 139.71 57.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.583 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -88.3 169.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.16 158.87 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -37.62 87.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.62 -36.8 69.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -83.18 -36.19 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.566 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.49 118.3 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 191' ' ' HIS . 10.0 mp0 52.92 53.05 12.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 10.7 t80 -68.85 -49.87 54.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -62.97 -14.01 42.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.527 ' CG ' ' HB3' ' A' ' 188' ' ' GLN . 22.6 m80 -82.36 -31.03 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -76.63 -40.97 47.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.4 116.28 41.75 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.11 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.05 18.49 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.3 -164.99 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.42 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 21.8 mmt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.444 0.164 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -74.98 146.56 32.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.01 147.93 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 154.22 38.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 -43.96 80.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -123.86 169.38 11.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.1 t-80 -64.17 168.53 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.507 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.32 -64.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 22.1 t -90.21 -48.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -58.01 -32.89 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.13 17.96 8.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -100.57 168.61 9.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.542 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 79.1 p -50.3 119.95 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.917 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.471 ' HE3' ' HG2' ' A' ' 187' ' ' GLN . 0.4 OUTLIER -80.07 -53.88 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -73.83 -54.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.47 136.73 44.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.247 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 44' ' ' ILE . 2.4 t -123.52 134.85 25.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.08 140.16 24.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.82 127.32 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.1 -21.73 24.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 ttm -88.63 164.56 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.07 165.12 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.229 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 HG21 ' A' ' 38' ' ' VAL . 5.4 mt -114.33 153.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -143.3 126.26 16.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.178 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 179' ' ' PHE . 5.1 mt -95.59 125.02 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -136.3 147.27 47.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.3 121.57 24.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.588 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 12.9 mtp -141.6 39.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 -123.4 9.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.9 p -44.68 109.99 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 38.7 p90 -85.03 -2.79 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.719 ' HB3' HD23 ' A' ' 190' ' ' LEU . 52.4 m0 -70.04 -60.29 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.31 -44.75 16.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -51.91 -42.57 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 30.2 tt0 -67.78 -49.12 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -55.8 -52.04 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -54.78 -34.93 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.6 m-85 -76.56 -41.57 45.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.29 72.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -73.35 -3.47 27.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -69.55 138.15 88.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.26 3.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 116.87 -6.58 17.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.94 118.25 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.2 t80 -71.55 -43.89 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.92 162.31 18.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 46.4 p -129.86 169.37 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.818 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -149.9 159.63 44.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -115.8 141.52 47.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.224 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.73 177.96 44.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 180' ' ' TYR . 1.1 p90 -122.54 148.08 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 0.725 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 t -170.33 171.86 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.63 -6.03 51.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 92' ' ' HIS . . . -111.19 -172.85 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -109.02 -31.95 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 0.807 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 80' ' ' PRO . 3.0 m -50.36 116.95 7.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.01 138.63 23.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.462 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 78.9 m-20 39.96 61.83 5.98 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.594 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.0 170.71 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -124.53 165.31 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -54.14 -33.64 58.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.38 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 4.9 mt-10 -54.85 -50.82 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' HA ' HG21 ' A' ' 90' ' ' THR . 39.1 t -59.77 -42.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -36.86 50.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 108.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -49.64 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.34 8.0 57.84 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.446 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.6 20.77 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -106.91 -35.25 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.407 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.401 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 91.66 -6.39 79.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 80.8 m-70 -85.62 144.02 28.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.657 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.608 ' HB2' ' NH2' ' A' ' 135' ' ' ARG . . . -120.33 167.86 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -74.41 115.7 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.76 19.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -144.47 135.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.818 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 0.4 OUTLIER -85.52 128.18 34.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -117.27 127.38 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.544 HG22 HG12 ' A' ' 44' ' ' ILE . 5.9 t -112.87 114.88 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HD2' HG23 ' A' ' 105' ' ' ILE . 17.0 p90 -137.6 165.16 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.594 1.184 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.66 138.66 19.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 -7.71 19.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t -89.29 -24.5 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 ' HA2' ' A' ' 64' ' ' GLY . 54.1 t -100.12 -59.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 100' ' ' TYR . 18.2 tt -118.89 163.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -122.53 162.91 20.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 24.7 p90 -62.18 -35.59 79.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.603 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 tp10 -61.18 -46.58 89.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.17 -41.27 92.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 105' ' ' ILE . 87.1 mt -61.56 -45.87 92.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.592 ' CD2' HD13 ' A' ' 138' ' ' ILE . 34.7 mt -58.39 -41.25 84.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -46.12 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -56.52 -39.08 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.588 ' CZ ' ' CG ' ' A' ' 49' ' ' MET . 3.1 t80 -57.55 -52.71 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CH2' HD11 ' A' ' 138' ' ' ILE . 3.5 m95 -67.67 -22.39 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.05 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -92.48 -2.08 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.513 ' ND2' HD13 ' A' ' 58' ' ' LEU . 10.7 t-20 -102.95 -35.5 8.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -169.55 169.82 8.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 109.564 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 121' ' ' ALA . 1.1 p-10 -97.4 124.03 50.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -74.97 24.44 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -126.06 50.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 19.34 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.55 -148.88 15.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.12 50.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.413 0.714 . . . . 0.0 110.967 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -155.06 155.88 34.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -147.17 125.71 12.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.442 ' N ' ' OE1' ' A' ' 126' ' ' GLN . . . 65.6 -121.89 21.18 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -111.17 21.55 16.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 0.738 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 16.1 m-20 -113.8 144.3 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -118.45 137.32 53.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.76 148.4 5.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.7 m -71.11 -5.48 31.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.84 -4.73 54.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 21.2 m-85 -102.91 38.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.065 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.608 ' NH2' ' HB2' ' A' ' 93' ' ' ALA . 9.2 mtm105 -88.54 177.49 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 p -126.44 137.0 53.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.84 147.73 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.712 HD11 ' CH2' ' A' ' 115' ' ' TRP . 53.2 mt -110.15 136.71 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -131.08 84.69 56.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.1 Cg_endo -75.08 172.88 15.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.18 -22.48 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.4 HG23 ' OE1' ' A' ' 145' ' ' GLN . 9.7 p -115.48 163.58 20.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.44 6.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.57 -30.76 70.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 64.4 mt-30 -74.42 -39.29 62.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.499 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -63.6 -51.59 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.5 87.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.93 -53.27 60.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.521 ' HG2' HD13 ' A' ' 173' ' ' ILE . 5.2 mmm180 -60.27 -45.3 93.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.7 89.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.8 p -63.69 -39.5 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 169' ' ' ILE . 10.2 tt -63.99 -51.93 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.08 -35.08 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -32.45 63.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.591 ' HD2' HD11 ' A' ' 169' ' ' ILE . 41.1 t80 -74.86 -32.71 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -39.46 59.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.07 -34.21 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.17 25.31 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.465 ' HE1' ' HA ' ' A' ' 168' ' ' HIS . 2.9 ptt? -59.58 -33.76 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.66 -38.37 72.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.83 65.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.67 -5.05 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.2 t70 79.69 25.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.71 109.1 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -2.08 56.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.13 98.71 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.465 ' HA ' ' HE1' ' A' ' 160' ' ' MET . 5.1 t60 -62.62 146.46 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.623 HD13 ' HG ' ' A' ' 153' ' ' LEU . 95.0 mt -55.33 136.25 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -109.34 -39.49 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.441 HG22 ' CG2' ' A' ' 169' ' ' ILE . 5.4 t -40.49 149.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.64 152.44 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 150' ' ' ARG . 6.5 mt -114.77 133.41 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.98 162.63 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.217 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.09 141.93 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -46.33 128.8 10.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.1 p -106.78 163.33 17.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.64 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.8 p90 -98.15 147.51 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.468 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -109.29 142.99 39.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.89 145.1 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.6 166.89 13.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.57 158.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -39.64 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 67.0 m-70 -77.92 -36.21 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -53.54 114.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 5.0 mm-40 53.05 54.54 10.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.573 ' CE1' ' OD1' ' A' ' 193' ' ' ASN . 31.4 t80 -63.92 -46.56 84.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.734 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -62.15 -14.58 38.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.84 -45.35 36.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.573 ' OD1' ' CE1' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -137.19 102.68 8.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.01 11.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -98.38 7.74 45.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -68.23 -155.94 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.734 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 111.069 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.461 0.172 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.91 19.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -101.52 129.88 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.23 166.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 HG22 ' HG ' ' A' ' 27' ' ' LEU . 3.7 m -78.7 -42.29 28.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 26' ' ' THR . 5.9 mt -128.77 -176.85 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.3 t-80 -71.86 168.26 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -71.5 -65.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG22 ' CE1' ' A' ' 191' ' ' HIS . 16.8 t -90.54 -46.86 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -59.04 -31.79 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.07 17.95 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 34' ' ' SER . 1.2 t60 -100.17 170.07 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.547 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 3.1 m -52.39 119.95 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 mtp -79.85 -54.64 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -74.92 -55.04 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.14 128.41 35.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 44' ' ' ILE . 2.8 t -119.2 136.03 24.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 141.37 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.03 136.97 58.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.08 -5.07 52.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.0 mtt -116.41 162.25 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.34 166.9 22.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 99' ' ' VAL . 9.5 mt -107.14 150.8 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.59 124.6 25.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.64 126.38 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.482 ' CE1' HG23 ' A' ' 138' ' ' ILE . 25.4 m-85 -136.71 146.98 46.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.83 110.01 13.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 2.3 mtp -131.29 39.57 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.29 -129.98 18.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.649 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.5 p -43.53 109.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -83.41 0.3 46.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -73.18 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.8 -31.62 55.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 51' ' ' CYS . 74.6 t -67.26 -48.4 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.9 tt0 -56.0 -56.7 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 1.3 ppt_? -61.16 -24.19 66.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.596 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -63.52 -44.65 93.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' HD22 ' A' ' 110' ' ' LEU . 40.7 m-85 -79.46 -34.78 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.85 75.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -64.72 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -61.2 135.67 93.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 125.62 -13.97 7.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 HG23 ' A' ' 98' ' ' ILE . 80.2 t -88.45 111.27 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -70.15 -45.63 66.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.603 1.189 . . . . 0.0 110.99 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -169.69 154.8 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.07 161.94 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -145.39 140.66 27.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -86.4 143.72 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.93 -170.25 26.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 180' ' ' TYR . 2.1 p90 -137.23 146.15 44.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -170.19 164.46 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 2.16 34.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -103.59 -164.67 25.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.592 0.819 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -117.99 -34.15 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 35.5 m -57.05 123.76 61.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.77 20.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.6 m-20 45.9 63.64 9.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.0 164.83 32.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.819 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.7 t -124.83 159.18 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -50.05 -46.02 52.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 81' ' ' THR . 44.4 mt-10 -65.92 -46.29 78.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' OE1' ' A' ' 133' ' ' GLN . 71.2 t -58.08 -42.96 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.7 t -54.32 -40.91 68.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -50.01 75.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.92 6.34 56.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.43 21.1 7.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -110.97 -24.51 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.75 68.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 88.7 m-70 -82.86 139.4 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.87 161.16 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.62 114.49 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 160.23 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 23.8 t -138.08 133.12 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.636 ' NE ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -90.15 114.56 26.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.61 HG23 HG13 ' A' ' 65' ' ' VAL . 3.5 mp -99.83 131.58 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 44' ' ' ILE . 6.1 t -109.74 114.53 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.523 ' CD1' HG23 ' A' ' 105' ' ' ILE . 11.2 p90 -135.27 165.27 25.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.83 137.2 19.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -16.86 28.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.8 -62.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.523 HG23 ' CD1' ' A' ' 100' ' ' TYR . 18.8 tt -112.76 163.9 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -125.28 159.53 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -56.82 -33.7 66.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.7 tt0 -64.1 -40.79 96.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.53 -37.66 84.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' PHE . 82.1 mt -74.98 -34.57 62.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.848 HD21 ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -75.48 -33.77 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.215 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.81 -55.26 15.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.721 HG11 HD11 ' A' ' 62' ' ' LEU . 6.6 p -57.39 -34.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.606 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 22.3 t80 -51.8 -51.54 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.848 ' CH2' HD21 ' A' ' 111' ' ' LEU . 6.2 m0 -59.48 -31.72 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -93.03 7.64 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.596 ' ND2' HD13 ' A' ' 58' ' ' LEU . 24.6 m120 -112.4 -49.75 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 49' ' ' MET . 7.7 m80 -138.59 167.07 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.79 135.87 19.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.98 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.55 49.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -11.25 18.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 71.75 -175.93 40.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.2 mtt -69.27 59.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' GLY . 4.4 ptp180 -179.8 152.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.438 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 32.5 tp60 -142.07 137.94 31.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.01 -128.55 26.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -93.92 16.2 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.352 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.36 128.13 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -120.02 131.23 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.636 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.61 157.08 9.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.065 . . . . 0.0 111.009 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 m -76.21 -0.53 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.603 0.825 . . . . 0.0 110.42 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' A' ' 85' ' ' VAL . 12.1 mm-40 -95.99 -5.86 40.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 110.235 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -108.35 44.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 136' ' ' SER . 73.2 ttt180 -92.76 166.0 12.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 135' ' ' ARG . 12.4 t -104.45 125.41 50.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.85 146.52 20.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 47' ' ' PHE . 79.5 mt -112.72 133.25 59.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 41.1 m-85 -125.06 84.38 59.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 141' ' ' LEU . 2.5 mm? -113.52 -28.0 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.6 p -103.02 161.26 23.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.74 6.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.67 -31.58 68.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.12 -39.14 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -46.89 87.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.61 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -67.16 -44.54 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.09 -54.25 49.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.22 -37.78 86.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.83 -40.76 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 p -78.68 -36.43 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.2 tt -60.64 -51.95 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.6 -33.73 74.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.57 61.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 0.4 OUTLIER -51.68 -37.39 50.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -53.5 -49.8 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.33 -38.98 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -51.53 -56.77 11.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 14.2 ptm -64.0 -34.72 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -48.39 76.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.58 -21.95 61.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -81.0 2.86 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.8 t70 81.47 8.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.97 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.23 11.15 19.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 159.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -98.68 122.29 41.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.11 114.76 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.424 HG21 ' HA2' ' A' ' 123' ' ' GLY . 81.7 p -95.08 10.42 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 120' ' ' PRO . 5.9 t -87.58 141.05 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.06 149.18 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 153' ' ' LEU . 3.5 mt -108.46 129.85 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.52 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -132.41 160.12 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -58.89 146.38 37.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.15 116.68 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.424 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.6 OUTLIER -101.72 178.35 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.07 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.581 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 4.4 p90 -65.27 150.69 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.659 ' CB ' ' CE1' ' A' ' 72' ' ' TYR . 39.8 m-85 -109.21 124.6 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.409 ' HA ' ' NH2' ' A' ' 97' ' ' ARG . 15.5 m-85 -64.57 131.58 47.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.29 170.04 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.521 ' HG2' ' CD2' ' A' ' 186' ' ' HIS . 6.0 pt-20 -65.0 161.14 19.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.206 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -31.94 73.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -25.61 59.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.521 ' CD2' ' HG2' ' A' ' 183' ' ' GLU . 56.4 m-70 -99.91 -48.7 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -54.08 133.1 43.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 42.51 48.65 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.556 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.0 t80 -64.42 -50.26 68.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -28.48 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.5 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -75.71 -36.45 60.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -66.07 -31.27 72.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.13 103.08 14.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.4 21.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.425 1.75 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.63 7.28 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.88 -158.21 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 mtt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.5 0.191 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 147.66 33.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.41 128.71 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 152.08 17.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' HD23 ' A' ' 27' ' ' LEU . 58.6 m -75.35 -40.62 58.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.46 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' THR . 73.6 mt -125.66 168.15 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 60.4 t-80 -72.23 164.66 25.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.584 1.177 . . . . 0.0 109.646 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -73.64 -65.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 191' ' ' HIS . 38.8 t -86.46 -51.1 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.576 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -56.21 -34.92 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 65.03 6.28 24.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' HIS . 39.5 m170 -101.44 159.03 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 p -64.79 118.83 9.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -28.75 35.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 p -74.84 -45.8 40.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 133.17 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 44' ' ' ILE . 54.4 t -123.22 113.88 29.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.47 32.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 127.69 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 100.49 -20.47 48.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HB3' HG13 ' A' ' 38' ' ' VAL . 32.7 tpp -79.95 143.46 34.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.42 167.42 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.9 mt -117.39 155.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -143.23 125.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.52 HD12 ' HB1' ' A' ' 176' ' ' ALA . 30.4 mt -102.63 124.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -131.57 146.63 52.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 137' ' ' ALA . . . -124.66 110.0 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -132.76 16.59 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 87.92 -124.83 7.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -41.89 109.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 40.1 p90 -84.57 -2.18 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 46.8 m0 -70.02 -59.94 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.14 -44.55 17.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 51' ' ' CYS . 79.0 t -52.3 -57.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CG1' ' A' ' 96' ' ' VAL . 30.6 tt0 -61.83 -35.2 77.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.71 -55.26 18.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.659 HD21 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -59.03 -33.18 70.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -63.34 -55.86 21.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.29 -14.72 63.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.027 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.31 -0.12 48.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -96.47 143.21 25.72 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 109.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 131.33 -8.99 5.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.609 1.193 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 59' ' ' PHE . 83.4 t -90.17 121.85 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -80.05 -46.98 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -160.64 160.67 31.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 41.4 p -139.83 158.59 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.81 152.66 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.4 149.95 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.83 -173.8 37.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.478 ' CD2' HG21 ' A' ' 85' ' ' VAL . 68.4 m-85 -126.73 146.78 50.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -167.86 163.91 14.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.32 -5.86 38.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -117.53 165.11 12.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -86.03 -33.0 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.9 m -49.89 116.77 6.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.0 23.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.3 m120 45.83 64.1 8.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.9 154.43 43.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 85' ' ' VAL . 31.7 m -118.33 160.41 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.26 -45.36 65.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -46.07 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.47 -49.01 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 90' ' ' THR . 90.4 t -57.96 -36.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -32.0 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -49.25 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.51 10.07 58.37 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.61 17.88 19.39 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.59 0.818 . . . . 0.0 109.367 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -105.55 -35.57 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.05 -3.54 84.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 47.5 m-70 -83.39 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.86 173.83 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 133' ' ' GLN . 4.0 tp10 -83.6 114.82 21.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.57 164.0 23.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.0 t -142.04 135.98 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -89.74 130.91 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.726 HD11 ' CE2' ' A' ' 59' ' ' PHE . 2.7 mp -126.96 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 44' ' ' ILE . 84.5 t -114.94 114.63 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.629 ' CD2' HD11 ' A' ' 110' ' ' LEU . 14.4 p90 -134.42 165.07 26.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.63 136.13 19.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.02 -13.17 21.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 -10.44 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.3 t -112.75 -56.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 100' ' ' TYR . 17.9 tt -117.93 163.34 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.3 p -117.85 155.95 29.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 30.5 p90 -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 9.4 tt0 -58.72 -41.14 85.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.55 -51.56 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.629 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.9 mt -57.03 -39.62 75.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 138' ' ' ILE . 7.0 mt -71.22 -33.53 69.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -58.88 -55.39 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.53 -35.86 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 7.5 t80 -48.85 -56.87 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.83 -21.2 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 3.87 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.721 ' OD1' HG22 ' A' ' 113' ' ' VAL . 26.4 m120 -130.55 -47.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' PHE . 2.1 t-160 -138.71 146.53 41.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 141.23 31.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.07 0.93 8.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.67 48.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 118' ' ' HIS . 3.7 tp-100 -96.0 4.92 52.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 170' ' ' THR . . . 62.25 -179.36 4.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 62.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 179.91 157.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -149.16 142.56 25.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.21 -120.75 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 14.81 23.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 22.9 m-20 -110.59 137.91 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -120.14 143.42 48.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.603 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.1 166.35 14.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.8 p -80.38 0.28 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -93.62 -27.09 16.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 40.1 m-85 -97.73 62.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -119.27 -173.4 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 131.46 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -159.91 142.45 13.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.526 HD13 ' CD2' ' A' ' 111' ' ' LEU . 96.1 mt -117.76 125.7 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.567 1.167 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -115.51 86.79 15.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 44' ' ' ILE . 22.2 mt -112.27 -32.28 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.0 p -105.07 164.03 15.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.17 9.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.93 -32.25 67.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.28 -38.07 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -63.28 -50.93 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.83 77.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.27 74.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.89 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 155' ' ' ARG . . . -54.56 -40.95 69.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.2 p -69.55 -40.65 76.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.39 1.056 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 171' ' ' THR . 5.5 tt -62.23 -47.1 85.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.88 -40.82 75.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 151' ' ' ALA . 26.3 mtt85 -69.06 -33.87 74.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.235 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 38.7 t80 -67.14 -39.06 86.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HB2' HD11 ' A' ' 169' ' ' ILE . 34.9 tt0 -51.78 -39.8 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.51 35.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.55 19.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -60.2 -34.05 73.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 161' ' ' LEU . 0.6 OUTLIER -63.24 -41.55 99.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.69 65.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.02 46.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.02 30.45 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.69 111.02 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 19.13 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 147.32 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -87.3 140.13 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.974 HG23 HG22 ' A' ' 171' ' ' THR . 60.0 mt -76.44 107.61 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.539 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.5 t -93.11 -19.22 21.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.974 HG22 HG23 ' A' ' 169' ' ' ILE . 9.9 t -57.29 146.65 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 135' ' ' ARG . 0.3 OUTLIER -138.59 138.67 38.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.4 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 3.6 mt -117.11 129.2 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -150.44 157.3 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -48.71 147.04 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.52 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -58.5 120.59 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.7 p -93.41 163.04 26.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 97' ' ' ARG . 19.5 p90 -85.86 149.41 25.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.77 134.61 49.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.059 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -65.55 141.95 58.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.34 167.83 13.19 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.86 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.58 -36.19 80.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.09 -30.69 60.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 91.0 m-70 -91.73 -39.95 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 119.23 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 28' ' ' HIS . 1.2 mt-30 53.43 50.52 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.576 ' CD1' ' CD2' ' A' ' 53' ' ' TRP . 57.8 t80 -65.24 -51.23 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.567 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -49.21 -28.25 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.797 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.37 -36.99 71.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.589 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 189' ' ' TYR . 3.5 tttp -78.33 -36.35 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.547 ' ND2' ' CD1' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -119.78 102.0 47.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -17.98 19.38 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 2.1 p90 -102.66 19.24 19.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.59 -169.87 41.32 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.567 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.495 0.188 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.79 42.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.63 150.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.231 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 157.55 33.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HD23 ' A' ' 27' ' ' LEU . 32.2 m -89.74 -33.18 16.67 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 26' ' ' THR . 44.9 mt -129.02 157.96 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.86 168.74 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.572 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.844 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.57 -64.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -90.41 -47.68 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.1 t30 -58.37 -32.81 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 56.67 16.37 16.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -99.7 162.97 12.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 0.715 . . . . 0.0 109.586 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 m -60.73 120.22 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -42.93 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -66.12 -50.91 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.79 125.47 27.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -104.37 136.1 19.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 150.21 38.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.57 139.28 55.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.98 -15.84 59.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.585 1.178 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.91 162.21 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.94 165.43 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 99' ' ' VAL . 12.0 mt -109.87 147.34 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -131.62 125.07 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 139' ' ' TYR . 3.5 mt -104.16 132.03 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 65.4 m-85 -150.42 140.71 22.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -110.8 109.7 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.9 13.9 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.47 -129.56 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.5 p -42.44 109.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' HB2' ' CG1' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -80.7 -4.73 55.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.78 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 18.0 m0 -71.72 -53.61 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.045 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.61 -42.35 17.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -54.5 -58.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.3 pt-20 -54.37 -44.99 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HD3' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -62.65 -54.8 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -36.73 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 5.3 m-85 -80.3 -34.5 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.553 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -63.59 -53.65 48.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -68.55 -7.82 35.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.797 ' CD1' HG11 ' A' ' 113' ' ' VAL . 5.3 tt -68.44 137.75 91.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.501 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 123.11 -13.77 8.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.26 123.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.445 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.46 -52.65 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -155.68 160.81 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.443 HG22 HG23 ' A' ' 98' ' ' ILE . 7.7 p -137.42 168.57 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.41 159.54 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.994 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.34 135.94 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.26 -164.73 15.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.557 1.161 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 0.9 OUTLIER -148.71 147.39 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.421 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.1 t -170.07 163.02 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.34 -12.98 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -98.64 -167.72 31.02 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -109.81 -36.14 5.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 63.8 m -55.24 115.1 8.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.32 16.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.58 ' OD1' ' CE1' ' A' ' 180' ' ' TYR . 8.9 m-20 60.36 62.24 3.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.02 169.74 21.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.5 p -122.81 150.51 42.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.95 -34.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -57.04 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 54.3 mt-10 -56.89 -49.8 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.9 -46.58 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.8 t -49.77 -42.61 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -68.86 -38.87 80.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.6 25.66 24.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 14.18 31.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 80.5 p -112.19 -25.15 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.68 -10.96 65.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 49.9 m-70 -78.26 146.8 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.558 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.07 175.16 6.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -70.45 121.47 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.0 152.82 42.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.205 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.994 HG12 ' HA ' ' A' ' 70' ' ' ALA . 5.1 m -140.39 147.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' CG ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -101.57 115.81 31.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.713 HD13 ' CD2' ' A' ' 59' ' ' PHE . 2.9 mp -108.96 129.57 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 44' ' ' ILE . 23.0 t -105.27 114.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CG ' HD11 ' A' ' 110' ' ' LEU . 19.0 p90 -130.81 165.13 23.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.37 135.78 19.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -12.52 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -89.51 -21.7 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' HA2' ' A' ' 64' ' ' GLY . 74.5 t -94.27 -63.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 110' ' ' LEU . 17.3 tt -117.03 155.78 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.3 p -108.12 142.93 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.4 p90 -46.35 -28.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.609 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -69.54 -40.75 76.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.17 -36.96 80.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 100' ' ' TYR . 32.2 mt -62.96 -45.88 90.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 12.4 mt -64.9 -36.46 84.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.2 83.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.797 HG11 ' CD1' ' A' ' 62' ' ' LEU . 2.6 t -68.02 -43.57 85.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.787 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -72.18 -23.8 61.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 26.7 m95 -76.08 -25.81 55.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.65 -0.02 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -124.28 21.78 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -169.68 145.53 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.57 141.45 23.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.06 9.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.63 48.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.93 -17.53 46.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.218 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.96 -155.67 48.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.1 mtt -85.3 48.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -155.96 155.15 32.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -143.26 112.68 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.11 -118.4 13.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.34 23.91 9.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -114.04 133.26 55.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.83 127.24 53.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.653 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 162.19 154.7 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.6 p -77.0 0.38 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -5.07 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -107.41 39.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.06 -179.62 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.2 m -127.76 116.1 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.15 159.09 44.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.6 HG22 ' HD3' ' A' ' 140' ' ' PRO . 52.9 mt -118.87 130.01 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.567 ' CD2' HG22 ' A' ' 46' ' ' ILE . 67.1 m-85 -116.11 81.81 10.65 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.99 160.37 40.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 176' ' ' ALA . 4.3 mp -117.69 -10.31 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.5 OUTLIER -121.69 162.1 38.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.444 ' HA ' ' OD2' ' A' ' 146' ' ' ASP . 18.5 Cg_endo -74.97 -39.32 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.48 -30.52 71.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.474 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.5 tt0 -72.92 -40.74 65.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 143' ' ' PRO . 3.2 m-20 -61.25 -49.64 76.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.91 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.69 97.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.15 50.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.499 ' HG2' HD13 ' A' ' 173' ' ' ILE . 4.2 mtt180 -67.16 -48.32 68.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.38 72.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.439 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 89.8 p -69.52 -33.36 72.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 153' ' ' LEU . 4.0 tt -67.84 -51.88 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.7 -40.59 95.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -60.14 -43.07 95.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 2.7 m-85 -72.2 -31.52 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 160' ' ' MET . 21.2 tt0 -52.1 -33.94 41.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.35 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.04 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.425 ' CG ' ' O ' ' A' ' 157' ' ' GLN . 22.5 ptm -55.88 -36.22 67.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 165' ' ' ASP . 0.7 OUTLIER -59.41 -42.77 92.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.7 -23.44 64.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.13 5.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 16.9 t0 77.0 7.9 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.537 ' O ' HD12 ' A' ' 161' ' ' LEU . 13.1 m-20 -79.33 91.76 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.63 17.04 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 160.12 24.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 169' ' ' ILE . 15.6 t60 -91.7 123.42 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.638 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.775 HG23 HG22 ' A' ' 171' ' ' THR . 7.7 mt -56.59 130.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 72.5 p -105.08 -22.98 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.775 HG22 HG23 ' A' ' 169' ' ' ILE . 10.5 t -64.17 134.75 55.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.499 HD13 ' HG2' ' A' ' 150' ' ' ARG . 3.2 mt -125.01 122.13 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.76 142.04 38.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -43.74 151.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -63.39 128.47 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.537 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.2 OUTLIER -102.6 -175.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.99 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 97' ' ' ARG . 7.0 p90 -81.98 149.79 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.58 ' CE1' ' OD1' ' A' ' 79' ' ' ASN . 40.6 m-85 -125.87 122.7 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -60.34 135.42 57.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.19 169.19 13.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.21 147.2 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.0 -33.08 74.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -40.8 63.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -90.86 -28.53 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.453 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -61.23 136.76 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.844 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 1.3 pt20 41.81 42.99 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.78 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 17.0 t80 -63.08 -57.88 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 57' ' ' ARG . 6.2 tp -53.61 -22.74 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 188' ' ' GLN . 9.9 m170 -73.16 -42.62 62.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.08 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -138.36 109.25 8.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -106.42 26.29 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -84.86 -160.26 32.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.6 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.461 0.172 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.68 22.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -105.08 141.59 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.72 163.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 83.3 m -85.89 -42.41 14.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -123.88 176.76 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 58.7 t-80 -79.12 168.8 19.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.66 -64.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 191' ' ' HIS . 3.7 t -90.27 -47.7 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.535 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.1 -34.42 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 57.36 15.42 16.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -100.58 169.91 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.96 121.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -79.06 -52.57 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.3 p -66.15 -53.6 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.21 136.08 43.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' THR . 72.1 t -126.55 126.55 24.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.463 ' HG2' ' HE3' ' A' ' 42' ' ' MET . 18.6 Cg_endo -74.96 146.13 32.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.46 124.32 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.7 -21.87 33.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.487 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 27.9 tpp -81.19 153.34 27.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.48 165.47 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.837 HG12 HG22 ' A' ' 99' ' ' VAL . 5.9 mt -113.56 151.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.97 124.96 16.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 28.6 mt -105.17 130.1 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.4 m-85 -143.2 139.82 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.75 111.43 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.592 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 11.7 mmm -128.84 17.08 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 79.91 -124.35 6.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.6 p -41.89 109.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 34.8 p90 -85.59 -1.54 57.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.667 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.8 m0 -70.51 -60.54 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.46 -43.85 18.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' A' ' 58' ' ' LEU . 78.1 t -51.74 -51.27 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 66.6 tt0 -63.28 -34.23 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.62 -39.88 76.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -64.36 -44.0 92.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.3 m-85 -66.35 -37.33 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.07 -38.24 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -76.22 -0.73 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.4 mt -86.86 134.5 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.821 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 115.16 4.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.06 -5.67 10.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -95.44 115.42 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -70.6 -44.26 67.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -163.14 163.36 25.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -136.2 162.81 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.837 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.94 159.01 43.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB3' ' NE2' ' A' ' 187' ' ' GLN . . . -113.57 150.13 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.64 -177.07 41.75 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.472 1.108 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 2.9 p90 -133.09 151.47 52.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 9.5 t -170.62 171.46 6.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.07 -20.65 48.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.89 -172.45 43.97 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -111.08 -29.86 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.457 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 28.5 m -54.38 123.48 43.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.04 137.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.4 m120 40.38 63.14 5.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 167.13 27.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -124.98 159.02 32.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.92 -48.75 60.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -54.61 -30.24 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -46.56 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.674 HG11 ' OE1' ' A' ' 94' ' ' GLU . 39.1 t -61.35 -49.59 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -42.07 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -50.18 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.7 17.1 17.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.48 30.11 4.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -122.68 -35.49 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.45 -1.13 86.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.3 m-70 -84.81 144.1 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.726 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -99.51 175.18 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.674 ' OE1' HG11 ' A' ' 85' ' ' VAL . 75.1 mm-40 -90.38 118.14 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.12 157.24 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 69' ' ' ALA . 74.7 t -133.49 129.87 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 1.7 ttt180 -88.54 120.13 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.4 mp -114.19 139.14 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.837 HG22 HG12 ' A' ' 44' ' ' ILE . 57.4 t -120.98 114.46 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.582 ' CD2' HG23 ' A' ' 105' ' ' ILE . 13.5 p90 -137.49 165.38 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -104.6 138.5 19.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.82 20.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.2 t -88.49 -19.9 25.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.8 t -104.39 -60.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 100' ' ' TYR . 16.9 tt -121.26 157.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 157.7 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.0 p90 -61.81 -29.22 70.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 111' ' ' LEU . 1.4 tt0 -64.51 -41.81 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.38 -36.24 83.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.48 -39.56 85.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 108' ' ' GLU . 9.2 mt -62.62 -38.55 90.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.88 -44.33 82.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.625 HG11 HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -62.07 -51.78 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -53.66 -34.61 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 156' ' ' PHE . 6.7 m0 -65.18 -33.23 75.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 107.963 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.19 8.2 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 9.6 m-80 -125.95 8.04 7.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 49' ' ' MET . 0.1 OUTLIER -170.76 169.22 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.595 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -123.43 140.72 34.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.492 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.6 Cg_endo -74.98 -0.32 9.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.35 50.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 136' ' ' SER . 0.0 OUTLIER -77.19 -19.86 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.16 -158.14 45.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.636 ' HG3' HG22 ' A' ' 132' ' ' THR . 0.0 OUTLIER -88.18 42.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 0.805 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER 179.8 148.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -137.9 121.27 17.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.51 -115.36 7.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -106.11 6.59 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 8.8 m-20 -111.49 131.02 55.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.5 m-70 -114.02 154.78 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.545 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 129.28 162.63 10.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.636 HG22 ' HG3' ' A' ' 124' ' ' MET . 68.7 p -81.9 1.58 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.436 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 3.2 mp0 -87.89 5.15 41.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 89.2 m-85 -125.1 19.42 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -74.99 164.13 26.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.452 ' N ' ' OE1' ' A' ' 122' ' ' GLN . 21.7 t -99.16 105.5 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.27 142.41 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.526 HG22 ' HD3' ' A' ' 140' ' ' PRO . 6.1 mt -109.86 132.66 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -124.61 86.06 55.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.526 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.07 171.16 18.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.0 mm? -115.77 -9.29 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.4 p -124.07 160.68 51.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.81 10.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.45 -33.16 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.34 -31.15 62.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -47.22 63.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.85 -37.64 82.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.06 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.73 45.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.68 -41.26 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -53.91 -36.66 62.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 3.3 p -74.15 -39.42 63.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -57.46 -51.69 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 151' ' ' ALA . 7.0 pt-20 -58.49 -33.67 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -77.07 -41.55 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CD2' ' CE2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -55.12 -44.35 74.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.89 -41.21 61.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.204 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.29 54.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.09 -56.23 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' A' ' 169' ' ' ILE . 4.7 ptm -64.51 -34.48 78.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.34 -37.58 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.77 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.09 -3.8 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 81.95 27.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.43 98.93 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.33 -5.95 57.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' CE ' ' A' ' 160' ' ' MET . 26.1 mmm-85 -56.04 159.9 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.05 129.31 46.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.672 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 171' ' ' THR . 1.8 pt -67.08 121.58 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -91.86 4.99 51.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 169' ' ' ILE . 8.8 t -82.07 150.24 27.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 156.01 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.422 ' CG1' ' HB ' ' A' ' 138' ' ' ILE . 1.7 mp -122.44 132.03 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.88 162.49 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -50.5 155.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.24 13.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 23.1 p -88.49 161.26 42.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.33 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -80.34 150.15 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.067 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 38.8 m-85 -107.71 136.25 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.15 141.21 58.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.99 167.79 12.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 1.5 mt-10 -50.3 146.09 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.417 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 5.6 p-10 -58.08 -35.81 71.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -27.08 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 18.2 m-70 -91.06 -32.47 15.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.569 ' NE2' ' HB3' ' A' ' 70' ' ' ALA . 81.7 mm-40 -56.35 129.52 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.237 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.561 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 12.9 mp0 44.32 48.88 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.559 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 6.6 t80 -61.7 -52.36 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.615 1.197 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -48.86 -26.37 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.675 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.09 -38.03 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -67.14 -33.04 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -128.33 108.02 19.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.73 16.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -106.27 16.3 25.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -72.82 -167.48 10.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.718 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.497 0.189 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -75.08 147.58 33.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.28 141.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 157.37 13.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.443 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -81.99 -36.38 27.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.472 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 26' ' ' THR . 12.2 mt -138.89 151.49 46.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.4 t-80 -54.29 166.85 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.613 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.22 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.88 -48.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.42 -29.24 65.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.32 21.1 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -99.55 168.23 10.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 m -73.18 123.23 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -41.07 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -69.18 -51.29 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.25 129.63 42.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.227 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -124.34 118.42 26.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 149.24 36.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.51 130.98 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 95.55 -24.09 30.93 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 44.4 tpp -71.0 144.16 50.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 6.0 tt0 -139.82 159.76 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.848 HG12 HG22 ' A' ' 99' ' ' VAL . 4.4 mt -111.88 154.9 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -140.45 125.55 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 139' ' ' TYR . 10.1 mt -93.48 124.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 29.0 m-85 -136.76 151.7 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -134.27 110.38 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -132.35 37.04 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 73.03 -129.34 12.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.688 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.0 m -41.17 110.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.725 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -85.73 -10.46 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.725 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -62.65 -56.61 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.48 -46.92 11.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.2 t -50.67 -58.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -35.17 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 52.0 ttt-85 -70.86 -43.85 67.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.7 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -54.12 -55.06 31.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.526 ' CG ' HG12 ' A' ' 98' ' ' ILE . 27.5 m-85 -61.97 -33.89 75.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.61 -40.98 98.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -78.91 -22.25 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.938 ' CD1' HG11 ' A' ' 113' ' ' VAL . 14.5 mt -59.14 134.89 87.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 113.51 3.8 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 123.28 -5.36 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 59' ' ' PHE . 88.0 t -93.76 117.18 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.0 t80 -73.5 -43.04 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.165 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -171.01 162.06 7.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -128.96 168.54 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.46 152.21 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -110.31 139.29 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -170.08 -171.15 35.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.18 151.04 52.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.507 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.9 t -166.78 164.78 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -22.72 17.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.07 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.53 -178.9 35.3 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -105.39 -27.18 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -51.0 118.15 9.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.05 13.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 8.7 m120 53.18 63.77 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.07 163.68 34.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 85' ' ' VAL . 77.6 p -122.36 154.84 37.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -51.27 -42.46 61.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -48.46 77.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HB3' HG21 ' A' ' 90' ' ' THR . 29.0 mt-10 -56.95 -49.94 74.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.4 t -58.97 -46.08 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.98 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -50.03 45.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.74 18.72 22.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.575 1.172 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -100.03 16.47 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 84' ' ' GLU . 59.9 p -116.76 -35.02 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.21 -10.66 72.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 66.7 m-70 -64.77 147.06 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.06 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.8 mt-10 -73.13 119.23 17.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.74 153.21 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.0 m -142.98 141.41 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.692 ' NE ' HG21 ' A' ' 44' ' ' ILE . 1.5 mtt180 -89.92 130.9 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.526 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -116.71 123.83 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.848 HG22 HG12 ' A' ' 44' ' ' ILE . 45.0 t -101.28 114.59 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.459 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 20.1 p90 -131.2 161.3 32.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 137.0 20.05 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.6 Cg_endo -74.99 -7.72 19.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -88.0 -14.46 39.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.4 t -114.99 -62.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 15.3 tt -113.39 165.5 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' A' ' 105' ' ' ILE . 98.4 p -114.55 167.32 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.921 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.0 p90 -70.55 -40.56 73.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.833 ' HA ' HD12 ' A' ' 111' ' ' LEU . 6.7 pt-20 -62.29 -34.1 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.1 mt-30 -62.22 -44.71 95.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.94 -48.42 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 108' ' ' GLU . 6.0 mt -54.92 -45.87 74.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -61.06 -37.83 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.938 HG11 ' CD1' ' A' ' 62' ' ' LEU . 30.9 t -62.53 -39.09 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -61.37 -38.74 88.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.834 ' CH2' HD11 ' A' ' 138' ' ' ILE . 2.4 m95 -86.33 -22.24 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' GLN . 4.7 mt-10 -92.79 0.94 57.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 21.9 t-20 -111.22 -47.72 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 126' ' ' GLN . 3.3 t-160 -142.74 167.14 22.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 123.6 68.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.96 1.4 7.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -109.35 50.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -106.88 -5.66 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.483 ' N ' HG21 ' A' ' 170' ' ' THR . . . 63.02 -142.8 48.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 44.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.92 156.88 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 118' ' ' HIS . 43.5 tp60 -139.91 110.89 6.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.89 -114.75 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -103.84 16.28 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.84 144.17 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -120.02 146.96 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.24 149.99 5.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.9 m -72.69 -6.1 42.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.773 . . . . 0.0 110.446 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 85' ' ' VAL . 17.7 mp0 -91.68 -3.43 56.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.469 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 51.6 m-85 -113.95 54.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.9 179.33 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -113.78 121.96 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.33 145.48 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.834 HD11 ' CH2' ' A' ' 115' ' ' TRP . 85.4 mt -115.28 138.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 46' ' ' ILE . 31.1 m-85 -132.08 83.48 56.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.0 166.15 29.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.93 -21.98 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.208 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.5 p -108.09 160.8 25.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -75.68 -36.72 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 54.3 tt0 -65.6 -37.8 87.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -65.08 -50.47 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.97 -37.02 75.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.5 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -74.2 -34.32 63.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.497 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -67.82 -54.75 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -65.98 -30.18 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -71.82 -33.99 68.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 54.2 p -77.49 -25.71 50.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.772 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -67.27 -49.37 64.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.635 ' N ' HD23 ' A' ' 153' ' ' LEU . 12.2 pt-20 -67.61 -36.73 81.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 160' ' ' MET . 10.9 t80 -71.47 -35.63 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.18 -44.32 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.36 -34.16 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -54.09 -56.57 16.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 156' ' ' PHE . 3.2 ptt? -64.52 -37.08 86.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 161' ' ' LEU . 3.6 tp -51.28 -45.88 62.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.11 -24.47 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -87.99 7.11 32.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.0 t0 75.04 18.97 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.64 94.08 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 19.84 5.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.99 162.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -93.27 129.8 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.545 HD11 ' HD2' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -76.37 113.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.483 HG21 ' N ' ' A' ' 123' ' ' GLY . 16.7 p -94.17 -28.9 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 169' ' ' ILE . 0.0 OUTLIER -41.82 132.92 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -134.31 130.46 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.443 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 2.9 mt -106.91 132.06 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.53 162.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -49.1 141.03 8.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.5 118.32 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.507 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.7 OUTLIER -82.88 167.08 32.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.5 Cg_endo -74.9 80.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.568 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 25.6 p90 -61.13 150.59 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.43 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 20.5 m-85 -124.41 120.22 31.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.84 118.7 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -76.24 170.13 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 153.9 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.94 -33.15 74.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -35.55 49.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.86 -45.9 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 6.4 mt-30 -51.15 132.61 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 47.36 47.57 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.62 ' CE1' ' CE3' ' A' ' 53' ' ' TRP . 21.8 t80 -63.99 -51.24 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -49.81 -24.8 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.29 -39.55 47.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -37.5 79.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.6 94.43 48.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.17 20.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -100.03 -4.32 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -58.78 -157.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.562 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.501 0.191 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.46 27.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.7 t -118.64 152.73 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.79 158.18 18.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 35.4 m -81.28 -38.02 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' THR . 16.3 mt -132.3 154.31 49.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.0 t-80 -57.65 171.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.863 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -71.75 -64.59 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.4 t -91.66 -52.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 54.9 m-80 -57.65 -25.87 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 40.32 28.85 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASN . 48.3 m170 -100.43 159.68 14.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 0.744 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -44.68 119.46 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -48.39 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.4 p -89.24 -51.46 5.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.73 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 56.9 t -118.88 124.53 28.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.92 37.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.22 126.41 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.25 -9.23 49.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.495 ' HB3' HG13 ' A' ' 38' ' ' VAL . 27.9 tpp -95.98 146.76 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -132.43 164.85 25.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.833 HG12 HG22 ' A' ' 99' ' ' VAL . 4.6 mt -115.51 155.56 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.796 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -141.95 128.06 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.205 HG21 ' CE1' ' A' ' 179' ' ' PHE . 3.8 mp -113.44 132.23 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.796 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -149.45 146.64 27.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.53 122.93 47.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.482 ' HE3' ' HA ' ' A' ' 114' ' ' PHE . 3.2 mtp -142.19 46.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 126' ' ' GLN . . . 63.99 -131.89 39.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -42.55 111.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 1.8 p90 -83.62 -8.94 59.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 189' ' ' TYR . 37.3 m0 -70.3 -54.16 13.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.01 -37.15 44.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 51' ' ' CYS . 93.3 t -65.26 -57.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt0 -55.08 -30.32 59.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.625 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.8 ttt180 -59.6 -55.08 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.022 HD11 HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD1' HG12 ' A' ' 98' ' ' ILE . 3.2 m-85 -66.3 -52.19 49.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.626 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -67.41 -39.93 85.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.054 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.12 0.08 20.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.85 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -77.0 129.64 77.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.635 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.99 108.62 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.05 -3.24 6.84 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 68' ' ' THR . 2.8 t -98.89 123.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -71.57 -44.53 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 m -165.32 161.69 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 98' ' ' ILE . 80.6 p -134.44 167.31 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -158.29 149.28 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.557 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -103.85 145.75 29.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.03 -172.45 31.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -127.16 153.17 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 179' ' ' PHE . 10.9 t -170.56 173.94 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.16 -8.22 72.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.21 -173.17 19.16 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -110.2 -31.38 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -51.46 117.72 9.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 138.14 22.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 0.8 OUTLIER 46.82 64.15 8.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.06 161.25 38.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.767 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 t -125.07 163.86 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -57.23 -41.77 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -54.14 50.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 81' ' ' THR . 69.2 mt-10 -61.84 -49.29 76.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 81' ' ' THR . 93.9 t -53.7 -49.39 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.5 t -51.49 -39.12 56.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -49.77 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.46 20.5 10.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -99.43 19.6 15.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 20.3 p -115.35 -32.07 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.95 2.79 87.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 89.5 m-70 -91.63 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.83 174.96 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -81.0 115.51 20.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.34 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 69' ' ' ALA . 18.9 t -150.07 134.98 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.57 120.67 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.364 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.569 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.2 mp -115.26 133.6 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.833 HG22 HG12 ' A' ' 44' ' ' ILE . 95.6 t -111.47 114.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -131.3 164.69 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.98 138.79 22.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -74.92 -3.03 13.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -19.21 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.062 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' A' ' 64' ' ' GLY . 66.8 t -108.22 -61.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 tt -113.41 168.44 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -124.68 153.1 42.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 5.2 p90 -57.25 -27.5 62.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 24.7 tt0 -66.57 -40.67 89.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.87 -45.5 85.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 21.9 mt -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 57.1 mt -57.09 -43.06 81.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.577 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 11.8 tt0 -61.14 -36.06 78.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.022 HG13 HD11 ' A' ' 58' ' ' LEU . 2.3 t -64.27 -44.47 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 7.0 m-30 -49.85 -52.09 35.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -67.39 -35.46 79.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 108.018 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.19 3.56 20.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 113' ' ' VAL . 36.9 t-20 -112.89 -44.69 3.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.469 ' NE2' ' NE2' ' A' ' 126' ' ' GLN . 6.1 m-70 -165.09 169.99 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.8 144.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.44 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.52 50.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' CD ' ' C ' ' A' ' 122' ' ' GLN . 0.7 OUTLIER -100.01 20.27 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.562 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 48.63 -134.71 20.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.71 61.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.95 160.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.469 ' NE2' ' NE2' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -145.68 132.21 19.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.581 1.175 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.39 -130.41 44.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -91.78 12.77 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.1 m-20 -106.92 130.87 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -119.77 144.8 47.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.27 158.52 8.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 132' ' ' THR . 5.7 m -78.34 -1.06 31.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.471 0.747 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.79 -11.05 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 26.0 m-85 -104.07 52.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -94.47 -175.25 3.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.8 t -117.33 125.59 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.25 150.51 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 ' CE1' ' A' ' 47' ' ' PHE . 25.9 mt -125.01 130.58 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -121.26 84.7 41.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -74.99 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 176' ' ' ALA . 3.7 mm? -119.32 -36.06 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.428 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 58.9 p -91.63 161.52 33.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -27.35 10.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.16 -32.74 61.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -72.0 -39.1 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 142' ' ' THR . 2.7 m-20 -59.34 -50.09 75.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.05 81.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -62.7 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . . . -58.05 -54.11 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.241 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -63.15 -37.05 85.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.51 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 13.0 p -77.99 -33.33 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.049 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.9 tt -57.67 -51.14 70.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.54 -34.03 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -69.05 -42.59 76.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -63.1 -42.25 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.45 -37.76 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.15 -43.42 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.85 -53.42 56.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 167' ' ' ARG . 17.5 mtp -58.05 -48.44 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 165' ' ' ASP . 2.1 mp -56.78 -39.38 73.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.63 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -91.77 9.0 34.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.22 24.2 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.6 OUTLIER -106.31 104.69 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.76 15.13 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.424 ' HB3' ' HE3' ' A' ' 160' ' ' MET . 3.7 tpt180 -50.55 145.81 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -91.97 121.38 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.599 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.487 ' CG2' HG22 ' A' ' 171' ' ' THR . 63.7 mt -63.13 130.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.562 HG21 ' HA2' ' A' ' 123' ' ' GLY . 73.8 p -116.57 14.94 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.487 HG22 ' CG2' ' A' ' 169' ' ' ILE . 2.6 t -86.88 146.63 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.85 142.45 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.91 127.96 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.9 161.78 39.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -49.85 161.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -78.88 127.44 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.524 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 7.1 p -100.3 171.26 5.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -75.01 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 1.205 ' CE1' HG21 ' A' ' 46' ' ' ILE . 4.1 m-85 -69.0 148.9 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -109.7 125.95 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.22 136.59 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.93 169.27 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.72 135.41 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.3 -30.04 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -36.81 70.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -85.61 -48.57 8.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.557 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 33.8 mt-30 -50.13 130.84 23.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 1.3 mp0 65.07 39.32 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.634 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 11.7 t80 -59.93 -57.26 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.25 -23.89 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.863 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.78 -46.28 38.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.61 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -56.78 -37.69 71.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -135.43 104.4 10.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.65 21.34 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -103.33 8.13 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.81 -155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.518 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.763 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.495 0.188 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.68 29.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.96 149.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.99 166.31 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.8 m -77.5 -45.08 26.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 mt -115.38 157.34 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.11 170.93 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.8 -63.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.714 HG22 ' ND1' ' A' ' 191' ' ' HIS . 5.5 t -91.34 -52.55 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.57 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 38.1 m-80 -56.94 -28.79 62.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.23 20.87 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.416 1.073 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -100.37 170.22 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 0.729 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -60.99 119.95 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.11 -55.03 5.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 p -76.29 -42.86 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.74 129.71 37.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.053 HG21 HD11 ' A' ' 44' ' ' ILE . 58.6 t -120.82 121.51 28.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 42' ' ' MET . 18.4 Cg_endo -75.01 140.37 25.35 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.44 141.75 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.93 -32.43 5.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -114.46 158.45 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' HG21 ' A' ' 142' ' ' THR . 4.9 pt-20 -126.85 174.71 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.053 HD11 HG21 ' A' ' 38' ' ' VAL . 6.5 mt -105.25 148.57 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -133.57 126.99 32.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 179' ' ' PHE . 3.7 mp -109.71 136.66 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.638 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 23.8 m-85 -147.61 144.17 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -114.85 120.71 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 55' ' ' VAL . 1.4 ttm -138.13 11.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 94.48 -128.34 9.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.3 p -41.86 110.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 31.0 p90 -85.94 -2.29 58.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.747 ' HB3' HD23 ' A' ' 190' ' ' LEU . 40.0 m0 -70.2 -60.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.96 -44.42 14.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' CYS . 77.3 t -52.68 -57.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 6.1 tt0 -60.79 -33.71 73.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -69.53 -38.21 77.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.47 -33.09 48.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -66.03 -53.7 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.765 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -68.01 -14.82 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.81 0.31 27.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -87.53 141.53 32.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 108.07 2.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.82 -2.78 6.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 60' ' ' TRP . 49.5 t -85.25 111.71 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 1.4 t80 -70.5 -43.64 69.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.13 165.03 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.494 ' CG2' HG11 ' A' ' 65' ' ' VAL . 67.9 p -149.35 143.55 25.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 160.3 40.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -112.85 140.76 47.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -158.86 -168.68 21.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.62 151.18 51.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 179' ' ' PHE . 10.0 t -167.44 168.96 12.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.2 -20.83 30.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -106.86 179.35 22.48 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -99.64 -26.49 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.422 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 46.1 m -50.99 114.09 4.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.5 13.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 180' ' ' TYR . 25.1 m-20 48.83 64.15 9.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.98 166.51 29.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.553 1.818 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 ' OE1' ' A' ' 84' ' ' GLU . 30.9 p -117.79 156.64 27.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.6 t80 -51.14 -39.32 56.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -52.7 39.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' HG23 ' A' ' 81' ' ' THR . 67.6 mt-10 -56.47 -47.77 78.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.597 HG12 ' OE1' ' A' ' 133' ' ' GLN . 78.1 t -63.64 -44.47 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -30.99 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -50.15 44.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.89 7.2 36.44 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.81 17.69 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -25.71 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.41 0.36 66.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 87.7 m-70 -87.38 155.36 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.668 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.07 173.3 8.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 2.0 tm-20 -75.8 117.99 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.01 158.88 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 70' ' ' ALA . 2.0 m -142.13 153.59 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.602 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -101.75 137.35 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 97' ' ' ARG . 5.2 mp -133.42 116.45 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.676 HG22 HG12 ' A' ' 44' ' ' ILE . 3.4 t -98.99 119.18 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -137.01 165.32 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.69 135.29 20.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -75.03 -9.43 20.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -89.71 -18.12 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.4 t -108.27 -56.46 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 tt -117.16 163.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -115.11 153.54 30.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 11.3 p90 -61.93 -27.35 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.8 tm-20 -65.74 -37.78 87.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.9 -39.54 87.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 100' ' ' TYR . 45.8 mt -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.529 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 5.0 mt -72.87 -33.24 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -60.59 -40.58 92.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.29 -35.37 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.39 -49.8 71.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.68 -23.46 58.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.977 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -92.19 5.73 49.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.709 ' ND2' HD13 ' A' ' 58' ' ' LEU . 11.6 t-20 -116.15 -34.83 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.515 ' CE1' ' OE1' ' A' ' 126' ' ' GLN . 75.2 t60 -170.11 168.52 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.33 140.63 22.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.577 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -75.04 0.65 8.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -104.22 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -14.98 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.78 -143.97 44.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.4 mtt -86.59 46.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.407 0.71 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 143.59 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -130.07 150.93 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.93 -128.34 25.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -103.75 15.67 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 1.2 p30 -113.94 145.22 41.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.562 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.82 157.21 7.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 132' ' ' THR . 5.6 m -78.8 0.13 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.597 ' OE1' HG12 ' A' ' 85' ' ' VAL . 10.7 tt0 -95.05 -22.83 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 129' ' ' ASP . 29.9 m-85 -91.28 43.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -88.65 -177.69 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.72 136.95 54.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.41 144.82 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 111' ' ' LEU . 22.4 mt -117.44 124.34 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -115.02 87.75 15.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 162.04 37.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' CB ' ' A' ' 176' ' ' ALA . 1.7 mp -110.84 -24.81 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.488 HG21 ' OE1' ' A' ' 43' ' ' GLU . 8.3 p -109.83 162.37 20.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.87 11.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.9 -32.58 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 149' ' ' ALA . 53.8 tt0 -74.49 -32.0 62.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -51.41 44.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.1 89.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.69 -41.05 65.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 145' ' ' GLN . . . -57.89 -52.99 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -32.7 74.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.67 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.8 p -78.61 -32.03 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.7 tt -64.13 -52.13 60.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.06 78.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -66.81 -43.6 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.577 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 8.6 t80 -61.73 -38.18 86.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -51.67 -40.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.98 32.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -62.24 -56.79 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -56.13 -36.06 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -58.67 -39.95 82.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.91 67.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -81.99 1.21 36.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.17 31.69 5.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.43 118.86 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.63 16.4 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 8.1 mmt180 -89.77 87.96 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 31.8 t60 -59.71 129.06 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.658 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -52.29 134.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -105.91 -18.76 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 12.4 t -45.35 131.97 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 129.74 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.3 133.32 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.59 155.27 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.06 146.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 141' ' ' LEU . . . -64.12 117.95 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.618 ' O ' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -89.69 169.13 13.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -84.68 138.75 32.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 0.9 OUTLIER -104.43 130.73 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.436 ' OH ' ' NH2' ' A' ' 97' ' ' ARG . 58.6 m-85 -60.89 135.87 57.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.87 170.01 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.17 156.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -40.97 96.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -38.77 40.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 72.4 m-70 -79.09 -46.67 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.8 117.38 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 50.27 58.05 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.5 t80 -74.25 -35.47 63.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -68.66 -13.82 62.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.714 ' ND1' HG22 ' A' ' 30' ' ' VAL . 19.0 t60 -82.62 -37.44 24.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -24.97 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.27 113.41 8.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.93 13.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -108.49 14.84 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.38 -154.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.46 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.438 0.728 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 22' ' ' MET . 2.5 mpp? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.176 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 159.67 40.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.563 1.823 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -101.86 150.76 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.41 166.95 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 ' HG ' ' A' ' 27' ' ' LEU . 4.0 m -77.65 -45.06 26.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.738 ' HG ' HG22 ' A' ' 26' ' ' THR . 4.7 mt -135.97 165.24 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.546 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -55.29 167.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 188' ' ' GLN . . . -71.67 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 10.4 t -90.69 -47.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.546 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.74 -29.62 66.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 48.68 22.02 2.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t60 -100.53 170.11 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 109.58 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -49.35 125.84 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 2.2 mmt -79.38 -48.83 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 p -92.97 -49.7 5.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.32 126.63 21.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 44' ' ' ILE . 8.6 t -120.47 125.18 27.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.82 38.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.94 137.41 57.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.3 6.58 58.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.405 ' HB2' HG13 ' A' ' 38' ' ' VAL . 22.8 mmt -111.83 169.43 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -149.87 162.73 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 99' ' ' VAL . 10.5 mt -119.24 151.01 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.85 124.14 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.443 HG23 ' HB1' ' A' ' 95' ' ' ALA . 2.3 mp -90.04 126.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' HD2' HD13 ' A' ' 98' ' ' ILE . 2.0 m-85 -131.37 140.49 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -127.34 109.49 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 6.1 mtp -135.53 32.27 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -129.69 9.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -43.42 108.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 35.0 p90 -82.46 -3.18 55.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 45.8 m0 -71.15 -51.82 22.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.1 -30.7 54.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 51' ' ' CYS . 44.4 t -69.86 -57.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 16.6 pt-20 -51.92 -48.14 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -71.39 -26.42 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.736 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -68.92 -37.85 79.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 98' ' ' ILE . 18.0 m-85 -84.19 -35.0 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -51.57 67.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.23 -17.64 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.076 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -68.62 137.94 90.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.733 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.95 119.67 5.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.84 -11.86 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 68' ' ' THR . 71.0 t -95.08 114.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -68.9 -39.54 79.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -169.19 164.44 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 33.9 p -140.22 154.63 46.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -142.52 146.88 35.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -98.47 149.97 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.5 -173.01 36.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 1.3 p90 -136.83 146.77 46.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.408 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 11.3 t -168.79 163.06 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.363 1.039 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.19 -17.48 19.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.1 -157.87 33.47 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -119.48 -33.87 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 42.2 m -55.43 130.05 69.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.548 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 39.76 65.27 3.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.13 169.06 23.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 85' ' ' VAL . 25.7 m -91.85 163.03 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -69.51 -32.73 71.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -63.59 -39.19 93.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.402 1.064 . . . . 0.0 110.25 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 20.4 mt-10 -69.32 -45.36 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' THR . 88.7 t -54.58 -50.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.93 -41.97 59.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 108.259 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -63.97 -48.46 76.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.073 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.2 29.49 7.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -13.81 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 5.1 p -94.69 -33.67 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.67 60.8 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.598 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 68.8 m-70 -57.75 140.9 50.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.62 153.05 22.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.96 114.49 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 46' ' ' ILE . . . -125.14 168.31 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 43.8 t -147.72 133.56 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 1.2 ttm180 -84.9 122.36 29.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.2 mp -108.36 127.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 44' ' ' ILE . 46.0 t -112.11 120.94 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 p90 -149.89 166.21 30.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -107.38 136.81 19.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.7 Cg_endo -74.99 1.06 8.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -18.63 25.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.5 t -113.36 -60.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 16.4 tt -105.08 162.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 p -125.27 161.95 25.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 145' ' ' GLN . 26.9 m-85 -55.31 -39.29 69.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -42.54 95.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -61.98 -35.06 77.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 34.5 mt -75.32 -34.66 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.455 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 35.2 mt -75.45 -42.72 52.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 115' ' ' TRP . 2.7 pt20 -55.77 -40.61 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -70.9 -36.23 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 138' ' ' ILE . 6.2 t80 -45.78 -52.44 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -76.51 -33.57 58.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -7.19 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.736 ' ND2' HD13 ' A' ' 58' ' ' LEU . 13.0 t-20 -117.99 -50.34 2.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 16.4 t60 -144.0 130.27 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 18.4 p-10 -74.26 142.96 79.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.1 Cg_endo -75.05 0.15 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.04 47.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.45 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 1.2 tt0 -95.54 -18.14 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.467 ' H ' HG21 ' A' ' 170' ' ' THR . . . 86.26 -171.44 44.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 mtp -74.6 59.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 0.72 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 160.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.71 124.61 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.01 -116.14 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -97.42 2.94 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.93 116.79 30.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.33 144.56 34.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.49 164.86 12.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 30.3 p -83.0 -3.66 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -97.63 -7.77 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -109.3 39.57 2.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -100.01 164.53 11.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 110.213 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 59.9 p -88.51 136.87 32.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.0 135.02 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.795 HD11 ' CE2' ' A' ' 114' ' ' PHE . 13.8 mt -112.76 120.66 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.438 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.9 m-85 -116.55 85.08 15.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.46 41.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -26.58 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.42 HG21 ' OH ' ' A' ' 107' ' ' TYR . 74.3 p -103.6 161.01 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.28 10.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.0 -32.32 61.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.573 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 45.9 tt0 -70.03 -44.9 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -48.38 76.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.66 97.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.09 87.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.69 -54.07 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -61.45 -39.61 91.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.11 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -63.34 -42.42 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.695 HD12 ' CG2' ' A' ' 171' ' ' THR . 9.9 tt -61.2 -52.22 65.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.85 -34.55 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -40.28 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 88.2 t80 -59.91 -42.4 93.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.48 ' O ' HD13 ' A' ' 161' ' ' LEU . 5.5 tt0 -51.68 -39.5 58.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.88 37.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.97 -56.65 16.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.451 ' SD ' HD13 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -60.28 -33.88 72.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 157' ' ' GLN . 1.6 mp -63.42 -43.0 98.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.3 -18.74 65.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.11 -2.67 58.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 10.2 t0 79.09 25.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 161' ' ' LEU . 41.2 m-20 -109.72 108.71 19.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.98 16.58 8.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 132.87 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -82.98 126.37 32.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 171' ' ' THR . 2.7 mt -67.4 129.01 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.467 HG21 ' H ' ' A' ' 123' ' ' GLY . 15.0 t -104.91 -29.52 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.695 ' CG2' HD12 ' A' ' 153' ' ' LEU . 2.1 t -41.72 133.26 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.6 133.34 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.1 mt -107.54 118.0 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.27 156.76 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.95 141.39 28.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -49.45 125.18 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.3 p -95.95 164.05 19.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 73.92 4.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 31.9 p90 -73.54 149.95 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 8.8 m-85 -112.38 138.79 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.496 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 5.4 m-85 -62.88 143.07 57.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -85.03 170.05 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.44 157.57 3.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -42.37 97.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -37.37 37.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.86 -32.63 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -62.94 127.43 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.634 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER 54.34 41.29 32.06 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 20.4 t80 -62.74 -59.87 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.581 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -50.92 -23.05 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' ARG . 11.8 m170 -76.7 -47.07 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.13 106.03 19.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -11.11 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -102.87 12.47 36.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -69.83 -168.39 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.581 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.5 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 180' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.463 0.173 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.06 40.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 37.1 t -127.4 159.89 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -67.58 157.66 33.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 m -77.97 -44.89 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.29 158.17 25.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 68' ' ' THR . 58.7 t-80 -58.97 170.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.548 ' HB2' ' CD ' ' A' ' 188' ' ' GLN . . . -73.02 -65.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.469 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 14.2 t -91.22 -53.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.549 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 71.9 m-80 -56.7 -27.0 58.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 45.7 22.93 0.82 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -100.36 170.37 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.641 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.55 119.03 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 mtp -81.71 -54.13 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -78.93 -56.08 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -61.28 128.21 35.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -107.7 137.53 19.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 143.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.806 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 127.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.63 51.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -93.85 165.28 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -142.17 162.99 34.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG22 ' A' ' 99' ' ' VAL . 5.5 mt -112.77 151.89 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -136.65 124.79 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 139' ' ' TYR . 14.4 mt -97.86 125.59 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -138.48 146.86 42.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.91 113.67 14.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 1.0 OUTLIER -130.08 12.43 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 95.67 -127.16 9.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -41.5 109.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 32.8 p90 -86.64 -1.82 58.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 50.0 m0 -70.12 -61.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.71 -43.22 15.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 55.7 t -52.44 -57.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HB2' HG11 ' A' ' 96' ' ' VAL . 4.4 tt0 -64.45 -33.28 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 tmt_? -64.55 -38.12 89.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -81.06 -40.68 23.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.83 -56.76 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -63.5 -15.75 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 mm-40 -85.81 -10.24 55.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 113' ' ' VAL . 82.4 mt -69.66 139.01 88.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.79 2.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.557 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.65 -2.98 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 60' ' ' TRP . 3.3 t -92.71 114.43 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.45 -45.98 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.23 155.8 41.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 4.4 m -150.91 141.49 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -139.49 159.74 41.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.22 148.36 31.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.08 -158.7 11.67 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' O ' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -146.65 150.88 36.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -170.63 167.22 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.92 -16.45 15.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.89 -169.82 43.86 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.07 -32.74 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.5 m -53.38 125.52 43.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.6 Cg_endo -74.95 142.56 28.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.561 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 1.3 m120 43.69 62.58 9.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' CE1' ' A' ' 72' ' ' TYR . 18.2 Cg_endo -75.01 158.9 41.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.9 m -125.08 150.03 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 t80 -55.49 -29.93 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -62.12 -57.51 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' OE2' HG22 ' A' ' 90' ' ' THR . 6.5 pt-20 -66.26 -37.61 85.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 81' ' ' THR . 32.2 t -50.0 -49.58 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -29.04 26.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.238 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -69.78 -28.26 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.88 13.51 83.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.584 1.177 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -100.13 25.02 7.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.542 HG22 ' OE2' ' A' ' 84' ' ' GLU . 5.4 p -120.28 -35.69 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.02 -8.46 78.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 66.9 m-70 -80.12 147.78 31.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -115.03 175.47 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.88 115.53 21.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.21 168.47 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -142.76 131.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -91.04 125.29 35.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 59' ' ' PHE . 2.7 mp -116.38 133.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.916 HG22 HG12 ' A' ' 44' ' ' ILE . 18.6 t -116.21 115.02 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 31.1 p90 -136.13 164.97 26.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.02 139.48 20.15 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.98 20.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -90.12 -24.21 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' A' ' 64' ' ' GLY . 48.2 t -97.47 -59.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.5 HG23 ' CD2' ' A' ' 100' ' ' TYR . 18.4 tt -119.45 163.61 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 p -116.41 159.12 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.6 p90 -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.631 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -63.59 -40.79 97.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.24 -33.38 75.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 62' ' ' LEU . 57.4 mt -73.04 -50.29 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 149' ' ' ALA . 2.6 mt -59.67 -41.31 90.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.621 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 3.2 tt0 -55.07 -52.08 64.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' ' 117' ' ' ASN . 34.5 t -52.84 -35.53 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 7.8 t80 -53.75 -46.63 70.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -88.14 -18.76 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' ' 113' ' ' VAL . 3.9 m-80 -131.06 -50.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 51.0 t60 -108.9 170.69 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.548 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 10.4 t0 -116.38 136.49 23.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 156' ' ' PHE . 18.2 Cg_endo -75.04 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' OD1' ' A' ' 119' ' ' ASP . . . -129.2 50.26 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG3' ' CE1' ' A' ' 118' ' ' HIS . 1.9 mm-40 -84.42 -20.37 31.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 -166.94 48.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.55 ' HE2' ' HB ' ' A' ' 132' ' ' THR . 0.8 OUTLIER -77.33 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 111.046 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.493 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 8.7 ptt-85 179.94 170.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.76 122.1 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.03 -123.85 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -91.58 -1.73 57.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 0.803 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.65 131.84 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.7 p80 -116.67 147.42 41.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.79 175.88 28.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.55 ' HB ' ' HE2' ' A' ' 124' ' ' MET . 1.9 t -89.88 -13.46 36.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 2.0 mt-30 -89.33 -6.7 56.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -106.87 29.12 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -89.51 178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.11 131.53 55.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.09 144.97 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.428 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.5 mt -117.68 129.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.477 ' HB2' HG22 ' A' ' 46' ' ' ILE . 51.2 m-85 -124.15 85.65 54.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.01 164.5 33.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.464 ' HA ' HD13 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -110.85 -21.76 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.5 p -112.97 162.92 19.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.5 6.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.68 -31.23 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -72.64 -40.41 66.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.45 85.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.42 83.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.04 70.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.08 -54.24 49.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.44 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 12.2 ptm180 -64.23 -31.68 72.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 155' ' ' ARG . . . -69.08 -45.55 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -58.14 -33.76 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -70.09 -51.22 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.21 -32.54 73.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 151' ' ' ALA . 47.0 ttt-85 -71.99 -41.42 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 120' ' ' PRO . 34.2 t80 -74.03 -37.92 64.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -57.76 -27.56 63.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.04 -33.93 44.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.36 -54.97 18.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 26.9 ptm -57.18 -34.48 68.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 165' ' ' ASP . 1.0 OUTLIER -65.37 -44.38 87.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.61 -17.52 60.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.35 16.96 12.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 62.63 19.69 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -93.71 105.28 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -89.32 15.64 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 155.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -97.87 127.47 43.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.578 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -66.59 119.49 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.87 -33.83 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 120' ' ' PRO . 2.7 m -46.81 130.81 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.87 128.06 39.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 4.8 mt -97.4 121.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.19 147.49 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -41.47 139.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -55.59 118.0 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 3.1 p -98.94 163.11 19.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.763 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -102.69 150.32 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -110.14 139.18 45.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -63.28 141.19 58.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.94 160.95 18.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 0.5 OUTLIER -44.95 158.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.5 -30.13 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -37.15 85.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 15.5 m-70 -80.06 -51.15 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 69' ' ' ALA . 1.2 mt-30 -51.77 123.11 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.548 ' CD ' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 49.31 53.52 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.587 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.8 t80 -69.62 -48.2 60.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.4 -9.75 50.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -25.43 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.82 100.88 9.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -14.58 20.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -108.86 20.95 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -76.53 -168.03 26.95 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.523 0.778 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.486 0.184 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.38 143.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.85 150.15 7.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' HD23 ' A' ' 27' ' ' LEU . 8.7 m -76.82 -31.05 56.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' THR . 7.8 mt -135.43 158.37 44.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 49.9 t-80 -57.98 163.96 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -74.77 -54.78 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -91.15 -52.12 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 1.9 t30 -57.33 -34.48 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 60.46 12.69 26.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -100.74 167.95 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.614 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -52.95 119.83 5.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mmm -80.24 -43.58 21.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.9 p -74.82 -53.87 8.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 129.64 41.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 42' ' ' MET . 1.3 t -121.85 135.02 24.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 148.7 35.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.0 126.8 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.12 -9.7 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.567 ' HB3' HG13 ' A' ' 38' ' ' VAL . 34.9 tpp -91.73 157.64 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -138.32 165.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.785 HG12 HG22 ' A' ' 99' ' ' VAL . 5.4 mt -119.22 151.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -139.33 125.31 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.146 HG21 ' CE1' ' A' ' 179' ' ' PHE . 2.6 mp -105.67 131.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CD2' HG12 ' A' ' 138' ' ' ILE . 20.3 m-85 -142.95 149.0 37.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.74 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.598 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 5.6 ttm -136.53 16.38 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 -130.65 10.38 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -43.85 110.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 23.7 p90 -83.63 0.45 46.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.801 ' CZ3' ' CE2' ' A' ' 189' ' ' TYR . 30.1 m0 -70.94 -61.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.84 -43.06 15.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' CYS . 75.5 t -52.8 -47.01 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HG3' HG11 ' A' ' 96' ' ' VAL . 82.3 tt0 -69.27 -32.05 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 ttt180 -61.68 -56.07 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.814 HD22 ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -61.66 -32.19 72.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.796 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -64.63 -52.91 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.627 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.52 -21.21 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.081 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 4.1 mt-30 -79.61 0.44 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.062 HD21 HG21 ' A' ' 113' ' ' VAL . 7.1 mt -86.11 142.47 36.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 113.9 3.9 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.23 -13.63 9.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 60' ' ' TRP . 18.6 t -82.62 120.09 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.409 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.1 t80 -73.57 -56.07 5.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -153.47 164.12 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 13.1 p -133.13 160.82 36.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.832 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -147.54 151.25 36.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.01 120.34 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.8 177.47 20.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -120.31 151.82 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -169.61 177.02 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.66 -26.15 19.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.75 -166.76 42.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -115.8 -34.36 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 0.815 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 54.2 m -52.6 117.92 11.87 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.613 1.196 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 125.81 9.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 19.8 t-20 58.99 63.79 3.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.9 163.87 34.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.823 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 85' ' ' VAL . 71.5 p -121.26 158.62 27.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -51.12 -45.52 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -60.04 -52.44 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.4 mt-10 -55.22 -49.6 71.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 81' ' ' THR . 87.4 t -61.23 -41.15 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -36.24 62.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -49.64 58.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.16 16.44 25.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.77 15.9 22.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 2.5 p -111.8 -29.35 7.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.08 0.3 69.65 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 81.5 m-70 -79.86 150.94 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.54 169.79 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.51 115.69 21.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.81 166.69 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 69' ' ' ALA . 83.9 t -146.72 135.03 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -93.88 118.32 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.513 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.9 mp -108.74 126.97 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.785 HG22 HG12 ' A' ' 44' ' ' ILE . 14.7 t -108.54 118.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 41.6 p90 -141.4 161.7 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.95 133.51 20.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.02 0.36 9.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -90.33 -18.97 24.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.4 t -112.04 -61.65 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' PRO . 21.4 tt -109.65 166.58 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 p -122.87 154.04 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.912 ' O ' HD12 ' A' ' 111' ' ' LEU . 17.2 p90 -58.04 -35.41 71.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.644 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 tt0 -57.86 -47.67 82.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -58.18 -35.32 71.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.811 HD23 HD13 ' A' ' 62' ' ' LEU . 29.0 mt -70.19 -44.26 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -67.46 -45.04 77.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -36.52 71.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.062 HG21 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.53 -36.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.72 -52.92 60.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 2.2 m95 -73.2 -19.11 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -97.9 8.85 44.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.814 ' ND2' HD22 ' A' ' 58' ' ' LEU . 65.1 t30 -111.6 -50.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -150.41 167.77 26.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.24 115.28 64.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.673 ' O ' HG22 ' A' ' 170' ' ' THR . 18.3 Cg_endo -75.05 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.71 48.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -100.0 -18.65 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.662 ' H ' HG21 ' A' ' 170' ' ' THR . . . 88.5 -151.72 22.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.3 54.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -179.95 150.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 134' ' ' TYR . 0.0 OUTLIER -131.2 126.95 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.47 -120.04 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.96 10.64 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.9 m-20 -110.38 127.81 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.24 153.17 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.646 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.59 162.82 10.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 94.2 m -84.37 -3.47 58.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 0.711 . . . . 0.0 110.373 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.23 -9.63 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 36.5 m-85 -97.58 37.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -76.86 -170.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.7 m -139.52 134.94 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.47 148.13 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.522 HG12 ' CD2' ' A' ' 47' ' ' PHE . 79.9 mt -113.8 133.39 59.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -129.58 89.83 45.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.06 176.02 10.48 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.6 mm? -111.06 -28.54 8.26 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -116.94 168.08 9.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.84 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.44 1.758 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.66 -34.91 78.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -73.22 -37.05 66.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -49.13 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.05 69.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.23 -41.91 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.05 -52.29 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -66.02 -31.94 73.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.98 -48.51 52.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.1 p -56.53 -43.91 80.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.3 tt -64.45 -45.63 86.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.48 -42.34 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -46.36 35.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.0 -45.74 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 161' ' ' LEU . 32.2 tt0 -51.97 -34.66 43.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -76.72 -33.91 58.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -55.7 17.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 165' ' ' ASP . 4.0 ptm -58.96 -33.69 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 157' ' ' GLN . 0.6 OUTLIER -63.13 -39.06 93.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.44 -19.09 64.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.51 15.64 10.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.8 t0 67.33 24.61 8.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 160' ' ' MET . 7.1 t70 -89.37 87.08 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -4.64 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.057 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 150.75 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -97.56 139.66 33.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.946 HG23 HG22 ' A' ' 171' ' ' THR . 10.8 mt -70.4 118.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 120' ' ' PRO . 10.0 t -94.45 -8.19 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.946 HG22 HG23 ' A' ' 169' ' ' ILE . 12.7 t -80.25 148.99 30.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.91 149.33 43.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp -101.04 133.42 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.87 161.91 40.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.89 158.81 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -78.4 124.29 27.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -102.13 178.64 1.16 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.459 1.1 . . . . 0.0 110.399 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.1 Cg_endo -75.02 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 1.146 ' CE1' HG21 ' A' ' 46' ' ' ILE . 9.2 m-85 -71.35 144.19 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 37.0 m-85 -110.97 119.91 40.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 7.3 m-85 -60.36 133.14 55.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -89.96 169.48 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.58 136.97 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.83 -37.69 52.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -25.61 6.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 97.8 m-70 -98.43 -47.21 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 188' ' ' GLN . 13.6 mt-30 -51.55 134.29 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.619 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 7.7 pt20 34.78 49.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.801 ' CE2' ' CZ3' ' A' ' 53' ' ' TRP . 41.5 t80 -60.82 -32.32 71.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -60.99 -18.8 59.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.65 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -71.12 -35.68 71.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -44.77 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.562 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -132.37 114.42 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -16.12 20.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 3.2 p90 -105.05 23.91 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -78.1 -167.92 31.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 111.002 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.39 25.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.61 159.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 158.11 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.5 m -75.92 -31.55 59.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 26' ' ' THR . 13.4 mt -134.51 175.26 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.2 t-80 -72.28 168.14 18.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -64.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 2.8 t -90.82 -48.29 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -57.92 -30.76 66.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 53.31 18.8 7.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 33.8 m170 -100.26 167.32 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.569 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -69.79 119.7 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -55.04 5.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.6 p -56.81 -53.29 59.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.86 126.85 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 44' ' ' ILE . 1.9 t -116.83 136.14 23.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 150.11 37.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.31 129.73 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.84 -19.9 34.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.75 167.05 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.99 165.16 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 99' ' ' VAL . 6.8 mt -113.44 155.29 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.378 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -150.04 125.84 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.736 HD12 ' HB1' ' A' ' 176' ' ' ALA . 11.9 mt -97.89 129.14 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -134.74 139.67 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -122.35 109.97 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.522 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 19.1 mtp -131.27 34.62 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 77.67 -132.07 11.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.9 t -40.53 112.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.6 p90 -83.78 -2.58 56.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.696 ' HB3' HD23 ' A' ' 190' ' ' LEU . 54.0 m0 -70.42 -60.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.93 -43.02 18.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 58' ' ' LEU . 57.2 t -52.86 -52.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' HG3' HG11 ' A' ' 96' ' ' VAL . 1.1 tt0 -60.16 -41.72 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.724 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -61.33 -37.11 82.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 HD21 ' A' ' 117' ' ' ASN . 0.1 OUTLIER -68.56 -34.51 75.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 62' ' ' LEU . 15.9 m-85 -81.11 -33.24 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.51 -37.0 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -77.83 -8.4 57.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.974 HD11 HG11 ' A' ' 113' ' ' VAL . 2.3 mt -68.95 134.91 89.72 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.97 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.55 -7.34 11.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 59' ' ' PHE . 24.4 t -86.68 119.81 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.24 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 5.7 t80 -72.33 -46.17 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -165.15 167.52 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.1 p -139.54 164.77 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.781 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -154.72 137.06 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -94.6 147.17 23.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.564 ' HA3' ' CD2' ' A' ' 179' ' ' PHE . . . -170.8 -171.51 36.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.468 ' HB2' ' CE2' ' A' ' 180' ' ' TYR . 20.7 m-85 -136.72 144.66 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 3.1 t -170.61 177.91 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 103.71 -16.48 51.4 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -90.96 -157.71 33.98 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -116.15 -40.95 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.468 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 96.0 m -49.61 119.37 9.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.34 16.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 47.33 63.94 9.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.075 . . . . 0.0 109.232 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.04 169.9 21.58 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 83' ' ' ARG . 10.9 m -116.44 152.9 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -45.43 52.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.24 -43.68 98.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -62.75 -47.29 84.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.9 t -63.33 -36.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.6 t -57.3 -38.24 73.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -66.58 -45.62 78.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.72 19.63 26.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -98.41 15.35 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -112.08 -35.03 5.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.49 69.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.1 m-70 -67.85 148.82 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.678 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.27 168.84 10.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.443 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 31.3 mt-10 -75.06 116.18 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.74 157.06 47.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 69' ' ' ALA . 91.1 t -140.45 141.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.3 mp -116.09 121.34 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 44' ' ' ILE . 3.8 t -108.78 114.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.496 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 32.5 p90 -133.84 165.88 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.35 136.11 20.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.08 0.98 8.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -27.66 19.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.3 t -106.11 -61.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 63' ' ' PRO . 16.5 tt -109.56 160.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 p -121.46 141.21 51.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 145' ' ' GLN . 48.0 t80 -44.99 -35.78 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.91 -42.23 93.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 113' ' ' VAL . 62.5 mt -66.0 -34.38 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.55 ' CD2' HD13 ' A' ' 138' ' ' ILE . 17.0 mt -76.12 -30.44 58.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -55.29 21.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 62' ' ' LEU . 3.5 p -54.5 -42.6 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.485 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 25.7 t80 -46.61 -56.43 6.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.805 ' CZ2' ' CD2' ' A' ' 156' ' ' PHE . 11.0 m0 -57.46 -28.64 63.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.7 tt0 -91.16 6.85 43.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 58' ' ' LEU . 28.6 m120 -113.07 -40.24 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -169.61 169.53 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.387 1.055 . . . . 0.0 109.574 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 121' ' ' ALA . 12.8 t70 -102.44 141.72 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.99 28.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -140.11 49.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -104.03 -1.52 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.77 -156.23 43.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.428 1.08 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.541 ' CE ' HG22 ' A' ' 132' ' ' THR . 6.9 ptp -90.16 63.63 5.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.73 145.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.625 1.203 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 30.3 tt0 -128.35 116.4 19.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.81 -123.2 23.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -85.72 8.9 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 9.0 m-20 -102.91 125.81 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -119.79 138.35 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.576 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.41 165.15 14.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.541 HG22 ' CE ' ' A' ' 124' ' ' MET . 81.4 p -85.61 -0.2 54.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.741 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 85' ' ' VAL . 5.7 mp0 -92.85 -7.33 46.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 57.6 m-85 -103.69 37.44 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.6 148.77 23.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 p -96.06 137.43 35.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -168.49 147.37 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.55 HD13 ' CD2' ' A' ' 111' ' ' LEU . 26.4 mt -110.58 124.8 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.709 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 54.0 m-85 -118.77 89.52 38.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.793 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 176' ' ' ALA . 1.9 mm? -118.69 -38.25 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 p -98.62 165.56 14.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.38 4.59 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.23 -30.33 70.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 78.5 mt-30 -73.76 -40.56 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -70.87 -36.41 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.13 -41.67 66.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.404 ' HB2' ' OH ' ' A' ' 107' ' ' TYR . . . -60.46 -54.37 46.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.55 -43.22 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 156' ' ' PHE . 1.4 p -70.89 -35.68 72.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 171' ' ' THR . 8.8 tt -57.28 -50.96 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.97 -35.5 76.93 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -26.0 53.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.805 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -68.77 -44.5 73.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 158' ' ' ALA . 1.0 OUTLIER -51.41 -34.28 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 157' ' ' GLN . . . -80.63 -41.13 24.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.91 -56.21 23.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 3.8 ptt? -62.87 -35.55 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.15 -44.83 92.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.22 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.5 9.46 23.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.48 28.06 3.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.41 99.87 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.45 18.52 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.433 ' O ' ' CE ' ' A' ' 160' ' ' MET . 24.1 mtt180 -52.77 163.64 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -100.42 131.46 46.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.808 ' CG2' HG22 ' A' ' 171' ' ' THR . 51.0 mt -67.89 94.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 18.2 p -71.6 -9.46 58.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 169' ' ' ILE . 0.9 OUTLIER -69.97 149.03 48.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.2 pt-20 -130.88 144.24 51.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 138' ' ' ILE . 24.9 mm -109.74 130.45 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -153.77 159.21 41.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.97 158.78 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -65.95 118.79 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 21.9 p -97.94 163.15 20.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.09 85.83 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -81.97 151.91 26.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 180' ' ' TYR . 0.3 OUTLIER -101.48 130.18 47.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -59.56 127.08 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -68.51 170.0 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.1 161.56 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.01 -37.37 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -34.03 69.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -83.52 -41.98 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.81 122.83 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 47.59 53.64 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 64.0 t80 -62.79 -53.21 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.067 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.724 HD12 ' CZ ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -47.67 -27.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.509 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -72.8 -40.4 65.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.574 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 189' ' ' TYR . 12.3 tttt -71.73 -34.7 69.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.84 97.66 32.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -15.44 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -95.29 -4.48 45.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -56.26 -162.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.553 ' O ' HD21 ' A' ' 190' ' ' LEU . 4.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.409 0.711 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.491 0.186 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 145.27 31.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.83 128.27 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 155.15 13.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -72.17 -34.3 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.2 mt -127.44 176.83 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.7 t-80 -72.36 166.44 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.638 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -74.04 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 191' ' ' HIS . 23.8 t -90.75 -51.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 58.66 13.04 16.04 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.055 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -101.0 -176.07 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 0.737 . . . . 0.0 109.62 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -52.73 119.84 5.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -54.75 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -79.74 -52.92 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -49.69 126.08 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.55 135.32 20.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.07 139.07 23.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.96 131.73 50.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.58 -1.08 56.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.481 ' HE1' ' OD2' ' A' ' 101' ' ' ASP . 2.2 mtt -112.42 161.22 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -134.85 165.92 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.956 HG12 HG22 ' A' ' 99' ' ' VAL . 4.2 mt -106.51 155.09 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.32 124.36 21.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.8 mt -109.42 124.83 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' HG12 ' A' ' 138' ' ' ILE . 31.4 m-85 -143.36 153.64 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -125.12 110.43 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -128.5 35.38 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.42 -137.31 16.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.803 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.8 p -45.1 109.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 5.3 p90 -82.23 -1.64 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 8.0 m0 -71.82 -54.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.0 -42.46 19.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.594 1.184 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 51' ' ' CYS . 90.6 t -51.08 -55.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.0 pt-20 -60.95 -40.15 92.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.56 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -64.33 -32.63 74.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.29 -34.19 25.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.0 m-30 -66.07 -56.22 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -62.64 -19.86 64.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -2.78 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 HG21 ' A' ' 113' ' ' VAL . 3.6 mt -98.42 144.57 28.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 138.69 -17.88 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 75.0 t -85.28 109.32 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -75.59 -50.41 15.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.61 159.36 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 98' ' ' ILE . 60.5 p -143.06 151.42 40.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -144.04 149.59 36.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.35 147.62 31.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.72 -175.34 43.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 180' ' ' TYR . 10.6 m-85 -125.39 154.75 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t -170.12 166.17 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.89 -19.75 43.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.556 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.42 -170.12 46.2 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -110.71 -32.2 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 12.0 m -57.47 119.58 33.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.57 16.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.417 1.746 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.2 m120 44.23 63.89 7.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.498 ' HD2' ' CD2' ' A' ' 180' ' ' TYR . 18.4 Cg_endo -74.98 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.403 HG21 ' NH2' ' A' ' 83' ' ' ARG . 3.2 m -114.18 169.97 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.54 -49.85 73.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.403 ' NH2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -58.28 -36.8 73.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.64 -49.58 65.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' THR . 73.6 t -61.57 -45.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -51.71 -33.14 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 108.262 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -48.77 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.83 9.08 53.36 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.5 25.62 5.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -115.24 -33.54 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.65 2.97 90.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.556 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 71.6 m-70 -86.27 146.85 26.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.69 154.61 28.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.497 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 52.1 mt-10 -70.16 114.53 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.75 168.86 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 69' ' ' ALA . 16.7 t -145.09 136.33 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.382 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 1.005 ' C ' HD13 ' A' ' 98' ' ' ILE . 5.2 ttm180 -95.62 115.08 26.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.005 HD13 ' C ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -109.82 141.07 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.956 HG22 HG12 ' A' ' 44' ' ' ILE . 5.2 t -123.74 114.03 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.711 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.6 p90 -136.97 165.64 25.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.481 ' OD2' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -101.34 136.81 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.65 18.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.591 1.838 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -13.16 38.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -112.22 -62.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.453 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 10.6 tt -112.42 160.29 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.408 ' N ' HG12 ' A' ' 105' ' ' ILE . 2.5 p -115.56 170.81 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 40.0 p90 -72.54 -45.98 56.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.629 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 5.9 pt-20 -55.46 -30.34 60.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.711 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 86.6 mt -73.68 -39.27 64.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -68.13 -37.78 81.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -66.38 -47.49 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.606 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -57.31 -35.57 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.567 ' CE1' ' CE1' ' A' ' 59' ' ' PHE . 18.3 m-30 -66.13 -57.77 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.744 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 9.8 m95 -63.84 -19.1 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -93.18 -9.34 39.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.473 ' ND2' HD22 ' A' ' 58' ' ' LEU . 3.2 m120 -110.89 -23.47 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.458 ' CE1' ' OE1' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -156.95 170.24 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.627 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.87 141.4 22.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -75.06 0.51 8.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.84 49.89 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.458 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 18.3 tp60 -102.88 15.19 30.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.14 -157.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.96 66.15 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.57 158.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 49' ' ' MET . 2.1 tt0 -143.62 119.21 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.16 -123.54 21.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.59 13.46 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 32.9 m-20 -109.23 124.57 51.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -119.06 144.22 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.168 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 170.09 17.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 132' ' ' THR . 18.8 m -85.76 0.2 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.413 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -93.16 -10.56 35.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 47.9 m-85 -107.75 38.5 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -89.28 166.98 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.9 m -106.58 129.12 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.41 157.65 32.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.744 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 69.4 mt -130.54 133.39 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.1 87.78 50.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.46 16.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.96 -32.42 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.0 p -98.89 160.6 27.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.32 10.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.03 -35.11 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.14 -40.85 90.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.401 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.5 OUTLIER -61.7 -51.88 66.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.3 -36.73 71.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.83 -41.2 62.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.68 40.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 151' ' ' ALA . 1.8 ppt_? -64.79 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.24 -48.0 83.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 156' ' ' PHE . 7.2 p -58.01 -42.23 84.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.4 tt -61.63 -48.68 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.96 -37.29 86.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -74.06 -35.55 64.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 152' ' ' SER . 87.7 t80 -71.88 -37.02 70.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.11 -39.45 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.78 51.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.95 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.402 ' CG ' ' CE2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.83 -37.95 83.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.09 -15.84 63.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.94 -3.4 21.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 73.31 45.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -118.47 94.82 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 7.74 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 160.54 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -94.77 131.98 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 64.4 mt -76.95 111.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 3.8 t -81.81 -28.78 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.8 m -40.78 124.09 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.1 122.3 35.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 12.9 mt -97.27 135.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -158.57 155.35 28.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 176' ' ' ALA . 34.7 t-20 -49.55 143.05 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 175' ' ' ASN . . . -58.89 139.13 56.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 165.23 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 23.9 p90 -76.57 149.66 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -101.97 129.1 48.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.477 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 4.0 m-85 -61.9 141.31 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.75 168.19 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 1.3 mm-40 -52.22 147.33 7.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.73 -32.95 67.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -22.54 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 24.8 m-70 -93.8 -38.19 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.49 121.03 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.612 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 9.2 mp0 51.87 45.7 27.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 38.8 t80 -64.88 -52.54 55.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -52.98 -20.91 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.682 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.29 -45.43 39.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -65.75 -39.41 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.16 105.0 53.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -23.18 14.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -109.52 25.68 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.76 -169.75 41.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.675 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.483 0.182 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.76 35.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.43 145.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.91 152.99 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.375 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 -45.08 57.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.84 157.75 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.2 t-80 -60.35 170.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.621 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.763 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -72.32 -65.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.68 -52.65 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 72.0 m-80 -56.94 -25.89 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.18 24.87 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -100.52 170.48 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.586 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -39.6 121.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 tpt -78.31 -50.69 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -94.83 -52.7 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -52.99 121.3 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 39' ' ' PRO . 53.1 t -101.28 136.28 19.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.02 143.45 29.02 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.06 125.91 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.93 6.7 45.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.7 mtt -122.15 165.31 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -143.14 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.925 HG12 HG22 ' A' ' 99' ' ' VAL . 8.1 mt -107.83 146.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -129.07 124.22 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.98 HD12 HD21 ' A' ' 141' ' ' LEU . 3.2 mt -108.68 127.2 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CD2' HG12 ' A' ' 138' ' ' ILE . 35.3 m-85 -146.26 153.66 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.98 109.79 12.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.498 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -127.3 50.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.32 -136.17 32.05 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.8 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.6 t -40.88 109.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 31.1 p90 -81.31 -20.44 40.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.785 ' HB3' HD23 ' A' ' 190' ' ' LEU . 13.6 m0 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.02 -48.51 8.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.896 HG13 ' CE1' ' A' ' 59' ' ' PHE . 81.3 t -51.91 -57.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' CE3' ' A' ' 60' ' ' TRP . 7.6 pt-20 -54.42 -37.65 65.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.696 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 7.6 ttt180 -61.55 -57.37 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -34.58 78.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.896 ' CE1' HG13 ' A' ' 55' ' ' VAL . 3.5 m-85 -66.5 -45.96 77.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.638 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -76.29 -29.34 57.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 108.049 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.3 mt-30 -77.09 0.1 22.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -81.45 139.55 48.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.91 107.81 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.69 -13.79 3.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 98' ' ' ILE . 46.3 t -90.08 120.8 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -80.16 -45.63 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -145.48 159.43 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.804 HG23 HG13 ' A' ' 98' ' ' ILE . 88.7 m -147.43 145.63 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.22 160.16 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -117.34 149.6 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 97' ' ' ARG . . . -172.2 -163.64 26.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 179' ' ' PHE . 83.7 m-85 -134.83 152.83 52.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.458 0.74 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.52 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.8 t -169.96 170.16 7.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.44 45.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.91 -176.64 47.94 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -106.84 -31.1 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.459 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 6.9 m -56.04 116.19 11.75 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.29 15.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' OD1' ' CE2' ' A' ' 180' ' ' TYR . 5.9 m120 52.24 63.01 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.99 169.87 21.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 p -124.98 158.69 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -55.16 -44.11 74.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -62.23 -50.03 73.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 27.8 mt-10 -59.84 -48.81 80.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 53.7 t -59.37 -42.53 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.66 -43.93 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.76 71.64 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.25 21.97 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.44 20.81 13.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 0.784 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 48.4 p -117.25 -35.08 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.97 8.73 87.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 44.9 m-70 -86.08 148.39 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 153.74 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.5 tp10 -70.52 114.84 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.02 163.8 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -146.58 129.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 179' ' ' PHE . 5.9 ptp180 -90.37 115.61 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.804 HG13 HG23 ' A' ' 68' ' ' THR . 2.6 mp -104.16 130.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.925 HG22 HG12 ' A' ' 44' ' ' ILE . 15.6 t -105.74 114.03 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.667 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -139.57 165.67 26.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -103.76 137.39 19.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 -11.09 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.34 -52.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.2 tp -115.14 147.62 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.458 ' N ' HG13 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -111.3 147.39 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.604 ' CE1' ' OH ' ' A' ' 100' ' ' TYR . 9.8 m-85 -48.38 -48.64 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.47 -44.41 45.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -61.85 -49.53 75.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.667 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.7 mt -59.84 -35.67 75.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.69 -49.07 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.96 -46.14 82.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.679 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -55.62 -47.08 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.746 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 17.0 m-30 -66.9 -55.07 16.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 46.6 m95 -48.65 -24.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.06 -30.23 14.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' PHE . 10.0 m-80 -107.64 34.35 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -170.44 158.17 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.1 OUTLIER -112.51 133.52 21.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.04 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.691 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -139.32 49.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -92.19 -18.03 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.6 -166.14 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.404 1.065 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.38 62.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 179.45 163.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.06 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 1.6 tt0 -149.64 124.62 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.54 -124.19 21.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -91.58 11.61 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.56 118.1 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -113.16 152.94 29.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.704 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.74 166.03 11.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.6 m -82.12 -0.02 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.471 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -91.82 -17.45 25.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.62 37.53 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -70.72 175.47 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.238 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -130.95 113.6 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.55 168.84 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 47' ' ' PHE . 68.7 mt -124.69 128.17 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -116.09 84.41 13.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.55 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.4 Cg_endo -74.96 169.15 23.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 46' ' ' ILE . 4.4 mm? -120.14 -38.17 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 67.3 p -96.19 161.55 26.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.461 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 18.3 Cg_endo -75.08 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -78.26 -29.82 48.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.564 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 54.6 tt0 -65.49 -59.8 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -52.87 -44.2 66.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.86 76.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.52 62.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.8 76.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -64.97 -45.48 85.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.58 77.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 p -57.23 -45.26 84.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 171' ' ' THR . 6.7 tt -62.57 -48.02 81.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -55.97 -38.22 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.62 32.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -58.55 -30.6 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.722 ' HA ' HD11 ' A' ' 169' ' ' ILE . 54.0 tt0 -52.06 -32.61 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.34 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.66 -34.07 61.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.82 74.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 161' ' ' LEU . 2.7 mm? -56.84 -42.86 80.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.54 -19.54 49.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.38 17.35 14.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.3 t0 57.91 21.56 7.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.19 102.11 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.81 8.16 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -56.85 153.68 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -88.7 123.17 32.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.927 HG23 HG22 ' A' ' 171' ' ' THR . 54.8 mt -60.88 125.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 121' ' ' ALA . 20.8 p -95.97 -33.57 12.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.418 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.927 HG22 HG23 ' A' ' 169' ' ' ILE . 1.7 t -48.09 125.05 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.32 149.7 50.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.37 117.32 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -128.36 156.88 42.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.64 153.83 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -72.24 120.16 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.52 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -89.53 167.85 16.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.03 74.52 4.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 97' ' ' ARG . 7.5 p90 -61.71 150.32 37.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.478 ' CE2' ' OD1' ' A' ' 79' ' ' ASN . 32.4 m-85 -115.35 135.8 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.576 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 2.1 m-85 -59.69 131.99 52.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.85 169.81 14.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 155.7 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.18 -38.87 91.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.48 -37.02 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -82.28 -48.78 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.403 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 5.2 mt-30 -52.13 125.26 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.763 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 5.1 mp0 50.82 51.39 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 51.3 t80 -66.74 -50.77 61.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 53' ' ' TRP . 1.2 mm? -53.82 -20.93 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.459 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.58 -44.43 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.653 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.89 64.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.55 99.22 8.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.17 16.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -96.98 -3.25 41.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.35 -167.64 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.52 0.2 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.45 39.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.33 133.73 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.74 150.88 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 m -75.39 -36.66 60.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -126.83 174.15 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.5 t-80 -78.65 167.14 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.94 -65.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -89.83 -48.65 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.6 t30 -57.11 -34.13 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 60.99 9.88 16.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' HIS . 58.3 m170 -101.59 170.21 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -68.15 119.01 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ptm -80.9 -29.77 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.7 p -70.12 -43.27 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.95 119.84 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 44' ' ' ILE . 2.2 t -110.53 132.07 21.74 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 148.57 35.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.77 136.31 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.35 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.03 167.82 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 167.85 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.907 HG12 HG22 ' A' ' 99' ' ' VAL . 5.0 mt -116.56 151.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -134.92 124.65 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' TYR . 55.3 mt -113.66 123.49 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 1.046 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 1.7 p90 -152.08 154.95 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.72 131.08 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -142.8 16.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.84 -146.32 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.484 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 p -40.76 109.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.732 ' HB2' HG11 ' A' ' 96' ' ' VAL . 33.3 p90 -81.45 3.79 23.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.655 ' HB3' HD23 ' A' ' 190' ' ' LEU . 50.3 m0 -73.18 -61.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.11 -31.31 53.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.0 t -67.1 -58.21 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.0 tt0 -55.96 -56.28 22.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.623 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.28 -23.98 17.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -82.84 -32.78 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.7 m-85 -72.18 -57.51 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.623 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -59.77 -19.05 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 107.976 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.29 -23.16 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 HG11 ' A' ' 113' ' ' VAL . 2.9 mt -74.98 141.32 74.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 105.82 2.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.5 3.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 98' ' ' ILE . 87.1 t -87.89 111.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.444 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 2.2 t80 -69.7 -55.0 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -156.86 163.26 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 16.1 p -142.4 170.05 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -149.95 160.48 43.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.812 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -115.39 147.74 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -176.81 44.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -132.98 146.49 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 t -169.61 179.56 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 -26.33 24.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.35 -173.05 49.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -102.03 -30.94 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.544 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 2.4 m -49.7 116.12 5.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.438 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-20 59.84 63.0 3.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.556 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 170.07 21.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -122.69 149.91 43.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -37.58 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -58.83 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -67.08 -43.25 83.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 4.8 t -52.22 -40.66 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.17 -37.34 64.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 108.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -62.48 -44.76 95.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.57 29.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -97.83 12.92 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.477 ' HB ' ' CB ' ' A' ' 77' ' ' THR . 7.8 p -113.22 -19.76 11.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.86 1.47 89.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.0 m-70 -81.52 143.88 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.54 160.66 20.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.3 tm-20 -70.01 119.08 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.35 159.0 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 52' ' ' PHE . 2.9 m -146.76 129.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.759 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -92.44 114.95 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.046 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp -103.78 130.63 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.907 HG22 HG12 ' A' ' 44' ' ' ILE . 19.7 t -108.88 115.27 49.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.487 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 45.6 p90 -138.87 164.75 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.062 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.12 137.4 20.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -10.74 21.39 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -24.4 22.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -99.9 -48.56 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 100' ' ' TYR . 8.2 tt -131.97 140.84 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 p -95.31 145.13 25.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.5 p90 -53.46 -28.67 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.611 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -62.64 -46.01 90.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -57.57 -33.26 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 100' ' ' TYR . 68.9 mt -71.51 -42.02 68.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 63.4 mt -66.95 -46.91 73.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.2 mm-40 -60.29 -45.35 93.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.608 HG11 HD11 ' A' ' 62' ' ' LEU . 1.3 t -58.29 -44.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 8.1 t80 -56.84 -43.03 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.671 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 22.1 m95 -80.22 -19.43 46.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -90.09 -10.3 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.9 m120 -118.54 -2.71 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.94 170.44 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.538 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.08 154.11 40.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.439 ' HB2' HG23 ' A' ' 169' ' ' ILE . 18.5 Cg_endo -74.95 0.02 9.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.6 49.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 125' ' ' ARG . 3.4 tt0 -74.77 -19.18 60.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.578 ' H ' HG21 ' A' ' 170' ' ' THR . . . 68.88 177.12 13.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 ptm -79.73 62.78 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 179.88 152.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -145.9 120.58 9.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.68 -119.0 6.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.587 1.179 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.63 17.4 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 7.3 m-20 -113.03 121.05 43.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -119.93 138.95 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.57 177.47 23.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.9 p -86.76 1.0 53.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.395 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.472 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -91.23 -2.53 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.238 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 90.2 m-85 -124.24 58.05 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.421 ' CZ ' ' OE2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -113.07 -166.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.3 m -121.5 133.21 55.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -164.18 153.16 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.671 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 65.2 mt -131.76 139.8 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . 56.4 m-85 -135.26 88.57 25.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.12 162.76 36.31 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.441 1.759 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.2 -17.94 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.5 p -115.42 166.79 11.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.25 -36.21 82.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 41.8 tt0 -75.31 -28.69 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.87 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.84 -44.15 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -56.74 -46.62 81.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.24 49.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -60.16 -43.88 95.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.86 -48.31 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.0 p -65.39 -29.62 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.582 HD23 HD13 ' A' ' 169' ' ' ILE . 5.5 tt -67.68 -52.02 42.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.23 -34.23 77.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -74.05 -29.8 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.484 ' HA ' HD11 ' A' ' 169' ' ' ILE . 11.1 tt0 -51.91 -36.83 50.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.0 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.03 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.13 86.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.67 -43.61 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.6 -15.94 59.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.69 19.35 11.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.32 24.02 14.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.58 97.72 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.07 14.44 10.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.91 163.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -98.53 129.58 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.582 HD13 HD23 ' A' ' 153' ' ' LEU . 16.1 mt -63.0 118.8 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.578 HG21 ' H ' ' A' ' 123' ' ' GLY . 13.9 t -89.88 1.87 55.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 169' ' ' ILE . 3.1 m -70.71 122.42 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' CZ ' ' A' ' 135' ' ' ARG . 9.3 pt-20 -113.28 115.43 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 97.7 mt -94.8 128.77 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.22 153.31 27.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -46.59 158.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -75.98 127.05 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -101.56 170.24 6.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 72.81 4.56 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 2.8 p90 -64.57 150.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.4 127.9 45.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -66.47 139.5 57.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -84.21 163.7 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 1.4 mt-10 -56.2 162.24 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.88 -30.26 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -28.16 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 4.3 m-70 -95.34 -49.35 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.812 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 12.6 mt-30 -51.05 131.39 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.406 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 4.4 mp0 54.81 46.33 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.578 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 28.6 t80 -63.19 -54.09 42.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.4 -27.03 14.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.604 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -35.94 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -121.14 94.17 48.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.42 21.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -100.14 6.66 44.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -71.21 -160.53 3.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 197' ' ' TYR . 5.2 p90 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.545 0.212 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.14 42.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 181' ' ' TYR . 15.7 t -120.44 146.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 151.56 22.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 27' ' ' LEU . 7.7 m -81.86 -31.68 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 26' ' ' THR . 6.0 mt -139.69 159.83 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.4 t-80 -58.55 168.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.551 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.843 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' HD2' ' A' ' 191' ' ' HIS . 15.7 t -90.79 -47.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.57 -31.92 68.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 52.15 21.98 9.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -97.35 169.29 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.625 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.1 p -52.79 119.43 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.3 mmm -80.87 -55.49 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -69.0 -54.59 14.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.65 127.29 30.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 44' ' ' ILE . 2.1 t -104.0 136.92 19.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.98 145.72 31.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -67.8 140.97 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.61 -10.3 75.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.587 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -107.35 166.88 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 110.977 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -145.65 164.65 31.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.075 . . . . 0.0 110.288 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.966 HG12 HG22 ' A' ' 99' ' ' VAL . 27.5 mt -109.4 150.71 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -136.71 125.1 23.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.662 HD12 HD21 ' A' ' 141' ' ' LEU . 2.9 mt -102.58 129.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 138' ' ' ILE . 23.6 m-85 -145.31 140.04 27.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.59 109.81 21.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.577 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.41 5.17 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 89.74 -132.32 11.2 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 t -40.34 109.86 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 96' ' ' VAL . 55.2 p90 -83.89 -1.82 55.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 38.1 m0 -71.46 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.032 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -77.45 -38.97 27.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 51' ' ' CYS . 70.1 t -58.36 -56.78 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 43.1 tt0 -57.84 -34.35 69.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -59.53 -57.02 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -60.82 -31.73 71.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.887 ' CD2' HD11 ' A' ' 98' ' ' ILE . 8.6 m-30 -72.3 -54.17 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.717 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.72 -37.4 86.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 37.4 mt-30 -77.5 0.33 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -80.58 138.74 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.829 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.04 111.02 3.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.78 -5.85 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.54 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 1.5 t80 -71.18 -42.91 68.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 99' ' ' VAL . 67.1 m -168.28 162.02 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.545 HG22 ' HA ' ' A' ' 98' ' ' ILE . 54.1 p -139.2 169.2 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 97' ' ' ARG . . . -146.17 157.68 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.62 144.99 46.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -176.84 -165.03 31.66 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.917 ' CD1' HG21 ' A' ' 85' ' ' VAL . 62.8 m-85 -129.25 153.07 48.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.29 167.42 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.7 -29.08 13.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.18 -176.03 47.97 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -104.68 -38.51 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 31.4 m -51.02 118.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.75 37.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 10.9 m-80 49.77 63.79 9.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -75.04 150.65 38.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 85' ' ' VAL . 89.7 m -124.17 163.92 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.12 -50.35 71.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -61.29 -30.54 70.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.827 ' HB3' HG21 ' A' ' 90' ' ' THR . 0.8 OUTLIER -69.14 -49.76 54.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.917 HG21 ' CD1' ' A' ' 72' ' ' TYR . 47.9 t -61.01 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -49.89 -40.24 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -70.14 -34.41 73.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.058 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 78.52 20.09 72.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.1 23.69 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.827 HG21 ' HB3' ' A' ' 84' ' ' GLU . 60.3 p -117.05 -35.2 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.28 -1.75 82.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 58.3 m-70 -77.85 150.3 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 133' ' ' GLN . . . -114.51 168.51 9.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 115.36 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.21 155.18 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.6 m -144.41 151.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HG2' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.887 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.5 mp -118.03 123.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.966 HG22 HG12 ' A' ' 44' ' ' ILE . 3.7 t -105.82 115.75 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.397 1.06 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CD2' HD11 ' A' ' 110' ' ' LEU . 15.5 p90 -134.56 163.42 29.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.188 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 105' ' ' ILE . 2.5 t0 -106.12 138.11 19.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -7.78 19.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 t -90.16 -25.58 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.18 -61.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 15.9 tt -118.42 162.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -115.74 159.86 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 3.7 p90 -60.43 -39.06 86.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -60.89 -37.16 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.84 -46.13 88.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.636 HD11 ' CD2' ' A' ' 100' ' ' TYR . 33.0 mt -56.53 -45.38 81.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 138' ' ' ILE . 25.8 mt -57.01 -42.62 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.64 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.021 HG21 HD11 ' A' ' 62' ' ' LEU . 6.9 t -54.04 -52.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 m-30 -68.28 -45.15 73.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -41.62 -29.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' PHE . 21.1 mt-10 -104.69 -43.15 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.552 ' O ' ' HE2' ' A' ' 49' ' ' MET . 0.4 OUTLIER -91.74 36.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -170.16 162.28 8.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.9 t70 -132.01 125.79 20.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.164 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.783 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.29 50.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.75 -20.08 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.786 ' H ' HG21 ' A' ' 170' ' ' THR . . . 75.49 -150.15 39.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.391 1.057 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.4 ptm -84.99 45.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -153.4 150.3 28.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 134' ' ' TYR . 10.2 tp-100 -128.64 118.65 23.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.09 -114.69 7.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.397 1.061 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.51 19.85 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.21 160.31 19.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -118.55 152.22 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.39 141.69 3.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 57.3 p -72.74 -13.03 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.48 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 93' ' ' ALA . 5.9 pm0 -93.57 -5.11 49.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 4.0 m-30 -97.94 37.62 1.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -88.05 -174.23 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.2 m -120.07 125.65 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.83 149.74 20.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.818 HG23 ' CE1' ' A' ' 47' ' ' PHE . 56.4 mt -118.28 138.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.38 86.88 44.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.447 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.4 Cg_endo -75.09 173.01 15.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.662 HD21 HD12 ' A' ' 46' ' ' ILE . 4.6 mm? -112.02 -22.45 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -112.95 163.78 17.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.51 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.8 -32.07 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 59.5 tt0 -74.99 -34.13 61.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -47.35 63.34 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -55.86 -42.53 75.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.07 65.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.21 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.74 -35.58 81.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.97 -43.54 98.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.7 p -61.47 -34.51 75.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.0 tt -57.61 -51.0 71.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.57 -33.99 77.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -25.75 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -73.98 -43.12 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 111.05 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.757 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -54.13 -35.57 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.21 -45.62 17.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.15 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.48 91.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 157' ' ' GLN . 6.2 mp -61.43 -37.96 85.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.49 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.6 22.84 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.87 31.83 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.12 100.34 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.58 13.87 12.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -53.68 144.24 18.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -76.8 130.8 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.878 ' CG2' HG22 ' A' ' 171' ' ' THR . 9.2 mm -65.88 125.39 22.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.786 HG21 ' H ' ' A' ' 123' ' ' GLY . 10.8 t -103.67 -23.78 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.878 HG22 ' CG2' ' A' ' 169' ' ' ILE . 8.9 t -50.05 132.63 23.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 139.95 51.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.22 138.65 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.38 145.17 22.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.12 150.4 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.97 128.95 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -104.8 171.3 5.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.11 5.37 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.412 1.743 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 37.2 p90 -60.9 149.97 34.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -108.24 129.07 55.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.442 ' CB ' HG22 ' A' ' 24' ' ' VAL . 27.3 m-85 -61.55 141.31 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.461 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -89.91 170.21 10.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.478 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.2 tt0 -52.04 150.63 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -44.21 76.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -27.38 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 17.3 m-70 -92.99 -45.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.514 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 2.7 mt-30 -50.01 125.53 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.701 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 7.0 mp0 58.27 48.56 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 81.1 t80 -62.04 -54.74 37.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -48.97 -24.84 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.843 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.43 -37.89 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' TYR . 1.8 tppp? -77.78 -32.12 52.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.524 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.2 OUTLIER -124.0 102.61 34.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.36 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -106.09 24.59 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -85.19 -170.06 46.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.598 ' O ' HD21 ' A' ' 190' ' ' LEU . 2.5 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.56 0.219 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.93 40.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 181' ' ' TYR . 74.9 t -104.83 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 161.38 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.489 HG22 ' HG ' ' A' ' 27' ' ' LEU . 18.4 m -75.48 -43.79 47.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 26' ' ' THR . 12.7 mt -134.84 152.59 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.5 t-80 -59.7 169.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -74.45 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.403 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 17.0 t -91.41 -53.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.56 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 14.6 m120 -56.96 -25.87 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 49.18 20.68 2.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 24.2 m170 -100.74 158.03 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m -53.95 124.44 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.919 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 5.1 mmm -76.68 -46.33 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -80.09 -53.67 6.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.1 133.22 55.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 42' ' ' MET . 30.7 t -129.65 131.12 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 148.57 35.35 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.428 1.752 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 129.78 42.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.87 -11.54 52.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.412 ' HB3' HG13 ' A' ' 38' ' ' VAL . 24.7 tpp -95.88 156.2 16.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.07 164.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.923 HG12 HG22 ' A' ' 99' ' ' VAL . 8.2 mt -112.93 149.31 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.366 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -132.7 125.0 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.875 HD11 ' CE1' ' A' ' 179' ' ' PHE . 4.3 mt -99.35 125.03 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -140.03 144.67 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -118.19 118.59 32.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.598 ' HB2' HG11 ' A' ' 55' ' ' VAL . 12.6 mtp -137.36 28.56 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.52 -135.51 14.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -42.03 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p90 -80.85 -1.34 42.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.63 ' CZ2' ' CE2' ' A' ' 189' ' ' TYR . 51.4 m0 -70.6 -60.32 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.029 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.54 -42.86 20.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.567 1.167 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 49' ' ' MET . 75.9 t -54.32 -53.35 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 9.3 tt0 -62.36 -33.95 75.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.584 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -61.27 -56.56 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -58.38 -32.55 68.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.539 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.1 m-85 -67.54 -55.57 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.584 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.24 -17.32 63.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 26.1 mt-30 -83.9 -7.03 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.8 mt -85.55 137.74 36.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 109.79 2.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.547 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.45 -8.98 5.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 72.4 t -91.71 115.54 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.473 ' C ' ' CG2' ' A' ' 68' ' ' THR . 4.6 m -173.87 157.72 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 2.0 p -152.11 155.09 37.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.919 ' HB2' ' CE ' ' A' ' 35' ' ' MET . . . -146.23 145.63 30.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -78.8 146.55 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 181' ' ' TYR . . . -157.73 179.89 33.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CE1' ' HD2' ' A' ' 80' ' ' PRO . 19.8 p90 -122.71 153.56 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -170.19 164.55 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.83 -16.79 57.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -94.62 -177.71 38.34 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -114.83 -29.53 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 89.5 m -49.84 124.07 15.87 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.96 126.64 10.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.444 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.9 m120 39.83 62.87 5.28 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.09 169.96 21.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 m -104.41 150.46 24.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.69 -45.77 70.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -35.88 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 10.4 mt-10 -69.4 -50.33 46.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.232 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -46.0 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 t -50.04 -37.88 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -69.84 -47.18 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.87 24.79 12.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.5 12.33 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 40.2 p -111.93 -34.92 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.14 -0.51 69.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 81.3 m-70 -78.67 150.27 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 0.787 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -122.38 168.16 12.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -72.59 134.7 45.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.53 150.27 23.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 70' ' ' ALA . 16.1 m -138.07 131.72 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -88.52 122.51 32.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.539 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.4 mp -109.02 127.04 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 HG12 ' A' ' 44' ' ' ILE . 3.6 t -104.82 113.95 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 110' ' ' LEU . 22.5 p90 -134.13 165.52 24.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.45 138.84 20.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.61 21.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -90.13 -10.42 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.547 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.3 t -114.0 -64.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 16.7 tt -113.96 163.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -112.72 163.59 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 145' ' ' GLN . 20.8 t80 -66.96 -45.27 78.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -39.88 50.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -59.02 -38.81 80.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 100' ' ' TYR . 77.5 mt -72.67 -52.69 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.904 HD22 ' OG ' ' A' ' 152' ' ' SER . 0.1 OUTLIER -58.47 -33.66 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.596 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.8 tt0 -63.81 -56.1 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -61.07 -32.14 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.503 ' HB3' ' O ' ' A' ' 111' ' ' LEU . 8.7 t80 -48.2 -53.66 16.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 15.0 p-90 -95.52 -30.67 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 33.7 tt0 -72.5 -4.47 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' HG22 ' A' ' 113' ' ' VAL . 0.7 OUTLIER -132.63 10.75 4.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' TRP . 4.9 t-160 -170.03 153.12 4.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 122' ' ' GLN . 1.9 p-10 -96.65 117.17 66.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 170' ' ' THR . 18.2 Cg_endo -75.01 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.0 49.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.428 ' CB ' ' OD1' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -100.43 -12.55 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.07 -166.92 54.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.4 mtt -71.32 62.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -176.9 155.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -136.62 130.1 31.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.64 -117.06 6.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.53 11.5 34.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 14.2 m-20 -108.82 140.4 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -118.56 153.37 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.663 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.63 161.67 9.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 74.2 p -82.07 -1.9 50.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 4.4 pt20 -92.74 -23.55 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 29.6 m-85 -89.58 35.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 147.68 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -84.66 133.96 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.76 147.27 24.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.454 HG22 ' HD3' ' A' ' 140' ' ' PRO . 13.6 mt -113.8 125.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 49.4 m-85 -119.98 87.23 38.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 175.61 11.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.59 1.837 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -120.48 -48.53 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.51 HG23 ' OE1' ' A' ' 145' ' ' GLN . 2.0 p -90.6 167.99 15.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -29.34 8.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.4 -30.33 68.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.544 ' HG2' ' CD2' ' A' ' 107' ' ' TYR . 87.9 mt-30 -71.85 -48.14 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 142' ' ' THR . 1.7 m-20 -53.16 -48.59 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.0 74.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.5 -38.88 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB1' HG12 ' A' ' 173' ' ' ILE . . . -57.9 -51.06 71.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -64.4 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.904 ' OG ' HD22 ' A' ' 111' ' ' LEU . 31.5 m -56.67 -46.88 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 169' ' ' ILE . 5.3 tt -61.63 -50.94 70.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.27 -39.92 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -47.91 27.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 160' ' ' MET . 32.2 t80 -61.91 -33.14 73.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.9 tt0 -52.59 -37.74 58.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.74 -43.53 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.81 77.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.556 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 8.7 mtp -56.33 -49.32 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.16 -36.63 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.28 -21.74 66.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -99.18 26.62 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.5 32.45 19.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -117.2 97.04 5.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.96 11.29 18.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.71 160.93 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.99 138.89 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.647 HD13 ' HG ' ' A' ' 153' ' ' LEU . 4.3 mt -66.29 113.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -74.35 -24.0 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.63 123.7 12.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -117.13 118.3 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.652 HG12 ' HB1' ' A' ' 149' ' ' ALA . 5.2 mt -92.83 120.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.47 39.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -47.96 155.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -83.18 130.1 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.521 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.3 OUTLIER -99.94 -176.5 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.97 56.48 4.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.037 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.875 ' CE1' HD11 ' A' ' 46' ' ' ILE . 23.2 p90 -61.03 150.48 33.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -124.04 137.55 54.57 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -76.73 152.34 35.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.462 ' O ' ' CE2' ' A' ' 181' ' ' TYR . . . -79.16 170.1 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 152.45 19.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . 0.462 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 0.8 OUTLIER -53.36 -29.92 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -45.86 68.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.31 -32.44 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.633 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 83.8 mm-40 -49.76 135.7 18.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.4 mp0 42.24 51.52 4.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.224 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.63 ' CE2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 t80 -64.72 -49.01 72.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -23.11 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -77.16 -49.86 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.51 57.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.12 96.45 12.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.17 21.4 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -109.6 13.27 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -61.62 -150.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 197' ' ' TYR . 3.0 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.568 0.223 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.91 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.13 145.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 150.38 40.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.4 m -75.78 -39.03 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -128.03 -175.22 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -86.77 168.59 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.5 -65.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.6 t -90.72 -47.47 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.4 t30 -58.28 -33.54 69.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 58.23 14.42 18.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' HIS . 57.1 m170 -100.84 168.4 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.21 119.44 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ptp -80.4 -15.45 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -84.96 -50.4 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.73 134.46 48.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 t -114.78 128.23 26.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.64 31.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.759 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.06 125.62 24.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.33 -13.73 56.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.5 tpp -86.34 152.78 22.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.737 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.28 162.54 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' NE ' ' A' ' 97' ' ' ARG . 5.8 mt -112.43 154.58 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -145.08 125.12 13.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.617 HG22 ' HD2' ' A' ' 139' ' ' TYR . 55.5 mt -110.86 130.47 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 52.0 m-85 -147.54 147.81 30.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -111.9 124.89 53.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -141.86 17.73 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 91.21 -140.48 15.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 55' ' ' VAL . 29.8 p -40.81 111.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 96' ' ' VAL . 39.3 p90 -76.96 -5.75 49.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.802 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 21.5 m0 -71.86 -57.42 4.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -76.3 -34.75 44.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.584 HG12 ' CE2' ' A' ' 59' ' ' PHE . 54.8 t -66.14 -49.88 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 31.3 tt0 -71.94 -20.71 61.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.614 ' HD2' HD12 ' A' ' 190' ' ' LEU . 3.2 ttt-85 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.717 HD22 ' OD1' ' A' ' 117' ' ' ASN . 1.2 pp -73.82 -39.04 64.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CE2' HG12 ' A' ' 55' ' ' VAL . 10.4 m-30 -54.79 -52.23 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -58.75 -53.47 58.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 36.8 mt-30 -69.67 -2.68 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 105' ' ' ILE . 2.1 tt -67.14 134.28 93.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 107.32 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 121.8 -3.07 10.92 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.6 t -97.51 116.33 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -73.69 -49.77 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 m -151.27 166.77 29.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -139.98 167.24 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.473 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.43 154.39 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.953 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -116.31 142.63 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -166.99 -168.91 29.88 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 23.2 m-85 -141.16 149.49 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 4.6 t -169.86 176.33 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.14 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.52 -167.08 17.32 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -113.4 -46.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 27.4 m -49.84 121.29 12.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 142.48 27.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 16.3 m120 46.36 64.36 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.06 169.94 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 22.0 m -124.71 157.69 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.63 -49.84 61.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -57.21 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.84 -46.02 67.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' THR . 83.9 t -66.0 -37.22 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -39.53 63.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 108.372 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 m -67.82 -38.5 83.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 22.8 42.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.32 9.5 42.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -100.9 -27.73 13.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.425 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 94.53 -11.66 69.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 62.4 m-70 -79.16 147.96 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.37 171.52 7.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -76.34 114.75 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.252 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.61 49.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.953 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.7 m -142.43 145.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HE ' HD11 ' A' ' 46' ' ' ILE . 4.6 mtt180 -94.55 125.66 39.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.577 HD11 ' HD2' ' A' ' 59' ' ' PHE . 2.8 mp -115.57 133.82 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' TYR . 46.2 t -109.97 114.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 3.0 p90 -138.9 164.52 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.381 1.051 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.57 138.94 20.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 -18.88 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.51 HG11 ' HA2' ' A' ' 64' ' ' GLY . 52.9 t -103.04 -57.69 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 14.5 tt -120.04 161.66 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -111.1 158.86 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 13.6 p90 -65.2 -33.74 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.608 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 13.7 pt-20 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 77.1 mt-30 -57.45 -43.14 83.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.45 -49.89 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 12.7 mt -54.77 -48.73 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -35.02 79.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 114' ' ' PHE . 1.2 t -58.68 -37.5 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 9.4 m-85 -69.73 -46.07 66.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.714 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 5.5 m95 -69.78 -19.93 63.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.95 -9.31 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.717 ' OD1' HD22 ' A' ' 58' ' ' LEU . 11.7 m-80 -114.14 -11.99 12.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.6 OUTLIER -168.14 170.22 10.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.507 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' ALA . 0.8 OUTLIER -113.15 132.97 22.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 30.55 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -139.29 50.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.534 ' NE2' ' H ' ' A' ' 122' ' ' GLN . 1.6 pm0 -98.56 -15.82 19.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.52 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 78.57 -164.49 50.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.459 ' CE ' HG23 ' A' ' 132' ' ' THR . 0.0 OUTLIER -71.93 58.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.724 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 179.33 168.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.91 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.32 -123.09 22.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -100.58 8.71 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.76 132.59 51.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -116.79 135.21 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.01 167.23 27.39 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.459 HG23 ' CE ' ' A' ' 124' ' ' MET . 57.9 m -81.17 -6.92 59.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 0.808 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.463 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm0? -92.89 -27.92 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -89.25 68.98 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -125.07 -174.23 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.428 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 6.6 t -118.91 122.63 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -149.23 162.31 40.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.714 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 60.9 mt -129.39 128.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.617 ' HD2' HG22 ' A' ' 46' ' ' ILE . 32.6 m-85 -117.61 83.74 18.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.663 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -74.96 168.49 24.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.4 -31.45 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 56.5 p -108.43 162.1 21.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -21.45 15.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -32.87 60.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -71.16 -43.23 67.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -61.88 -40.58 95.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.97 -40.86 98.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.0 64.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.99 -54.24 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 146' ' ' ASP . 0.1 OUTLIER -66.36 -31.77 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.01 -34.77 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.265 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -80.07 -22.33 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 153' ' ' LEU . 2.9 tt -67.36 -50.57 59.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.97 -33.79 75.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.74 -48.81 80.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -74.3 -30.41 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.66 -41.04 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.612 1.195 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.75 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -69.66 -26.09 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.01 -41.26 97.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.23 -44.59 87.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.41 63.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.81 15.61 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.2 t70 62.48 19.19 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 101.08 10.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 3.84 27.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 155.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -98.26 141.35 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.489 HG12 HD21 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -68.39 116.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.52 HG21 ' HA2' ' A' ' 123' ' ' GLY . 38.0 p -107.17 18.74 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 14.3 t -89.11 149.77 23.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 139.87 47.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 25.4 mt -117.73 117.84 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.38 145.93 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -44.86 154.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -59.83 121.45 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.94 164.89 15.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -108.09 150.26 27.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 1.7 p90 -107.28 136.65 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.45 ' O ' ' CD1' ' A' ' 180' ' ' TYR . 55.7 m-85 -61.6 144.47 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.37 167.94 13.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.62 161.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.03 -34.42 64.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -22.61 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -102.57 -35.68 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.572 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.73 117.5 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 0.8 OUTLIER 58.68 47.53 12.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.802 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 18.4 t80 -66.41 -56.02 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.402 1.063 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -64.3 -14.07 53.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.594 ' N ' ' ND1' ' A' ' 191' ' ' HIS . 0.1 OUTLIER -84.44 -37.09 21.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -76.37 -32.46 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 195' ' ' TYR . 0.2 OUTLIER -128.83 96.5 29.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.422 1.748 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 193' ' ' ASN . 3.1 p90 -93.09 -4.51 52.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.92 -148.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . 0.523 ' O ' HD21 ' A' ' 190' ' ' LEU . 20.5 p90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -111.17 151.16 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 152.6 43.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.8 m -74.28 -34.71 63.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 26' ' ' THR . 11.9 mt -138.1 148.04 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.6 t-80 -50.79 170.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.83 -64.17 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.6 t -91.6 -51.47 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.0 OUTLIER -57.67 -23.31 50.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 39.63 29.52 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ASN . 12.4 m170 -99.6 165.71 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.584 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 p -64.38 119.29 10.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -55.29 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -64.78 -53.36 48.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 44' ' ' ILE . 3.6 t -125.41 136.71 28.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.92 146.77 33.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.609 1.847 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 122.92 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.68 -8.27 43.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 tpp -98.7 143.44 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -126.45 164.33 21.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.87 HG12 HG22 ' A' ' 99' ' ' VAL . 3.0 mt -115.33 152.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -133.06 124.49 27.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 3.3 mt -101.39 127.5 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 35.9 m-85 -150.12 155.21 39.41 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -119.36 113.57 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 21.92 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 85.19 -141.64 19.26 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -41.98 108.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.947 ' CD2' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.89 2.7 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 40.2 m0 -74.31 -53.06 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.975 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.76 -27.13 59.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 51' ' ' CYS . 34.3 t -73.04 -56.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 20.7 pt-20 -50.79 -51.63 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.0 -24.04 64.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 4.8 tp -68.61 -41.01 80.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 98' ' ' ILE . 34.0 m-85 -85.86 -33.21 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.54 -51.81 68.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 107.965 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -72.25 -4.04 27.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 113' ' ' VAL . 3.0 tt -83.01 137.34 43.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.544 1.812 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.73 -15.77 7.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.5 t -93.74 123.79 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -81.69 -46.34 14.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 167.15 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -134.64 169.82 16.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -160.02 145.73 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.947 ' HB1' ' CD2' ' A' ' 52' ' ' PHE . . . -108.44 149.91 28.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -172.35 -158.64 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.76 ' CE1' HG11 ' A' ' 85' ' ' VAL . 41.7 m-85 -148.27 147.83 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.5 t -170.42 164.07 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.42 -14.9 54.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -82.12 -157.47 20.63 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -116.93 -45.75 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.481 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 43.4 m -55.35 118.2 17.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.3 16.41 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 58.54 59.0 6.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.08 167.45 26.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.822 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.5 p -125.48 149.21 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.2 -29.69 14.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.79 -60.75 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 13.8 pt-20 -66.14 -44.88 82.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 72' ' ' TYR . 48.4 t -53.21 -39.81 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.3 t -54.76 -41.65 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -44.33 83.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.88 21.42 23.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.03 26.47 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.96 -35.43 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.3 -2.74 68.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.58 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 87.6 m-70 -80.97 142.71 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.19 160.07 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.7 tp10 -70.03 116.17 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.401 ' N ' ' OE1' ' A' ' 94' ' ' GLU . . . -125.04 156.39 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 70' ' ' ALA . 2.0 t -139.96 135.42 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -94.63 114.13 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.1 mt -104.57 123.58 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.87 HG22 HG12 ' A' ' 44' ' ' ILE . 45.3 t -101.73 114.33 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 5.3 p90 -135.13 165.17 26.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.92 135.76 19.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.11 17.65 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.09 -20.68 22.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.72 -65.6 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.4 tt -110.0 164.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -123.04 152.37 41.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -54.81 -41.06 70.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.643 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.5 tt0 -55.84 -41.42 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.74 -38.44 86.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 110' ' ' LEU . 19.6 mt -65.47 -50.62 64.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.658 HD13 ' HA ' ' A' ' 149' ' ' ALA . 74.4 mt -53.91 -38.39 64.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -66.0 -45.32 82.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.613 1.196 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 62' ' ' LEU . 2.5 t -53.76 -48.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.675 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 19.5 m-85 -49.78 -55.41 14.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 7.0 m95 -66.11 -19.89 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -89.12 -9.07 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.51 ' OD1' ' CD1' ' A' ' 58' ' ' LEU . 1.6 m-80 -112.14 -31.37 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.4 145.05 9.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.655 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.79 155.26 85.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 0.44 8.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.42 50.15 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 134' ' ' TYR . 12.9 pt20 -78.39 -12.85 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.06 -179.56 27.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 ttm -71.96 63.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.05 170.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 134' ' ' TYR . 10.6 tp60 -148.55 114.32 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.68 -119.28 17.63 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.95 11.86 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.535 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 0.2 OUTLIER -111.29 131.01 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -118.02 145.44 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.98 -178.16 27.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.0 p -90.24 -3.24 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -92.61 -1.43 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 57.7 m-85 -121.93 47.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 177.77 4.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.07 126.51 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.64 148.51 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 47' ' ' PHE . 43.8 mt -122.0 129.67 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.418 ' CE1' ' OG1' ' A' ' 177' ' ' THR . 42.4 m-85 -128.41 87.11 56.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.5 Cg_endo -75.0 171.63 17.94 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.431 HD21 HD12 ' A' ' 46' ' ' ILE . 4.3 mm? -113.33 -32.58 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.3 p -104.34 162.58 19.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -28.41 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.99 -30.87 65.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 65.8 mt-30 -72.37 -41.3 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -46.81 88.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.08 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.05 73.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.658 ' HA ' HD13 ' A' ' 111' ' ' LEU . . . -57.82 -51.07 71.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -69.5 -38.5 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.85 -38.52 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.403 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.4 p -80.44 -34.93 35.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 169' ' ' ILE . 6.7 tt -60.98 -51.96 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.66 -43.25 99.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -42.89 91.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 5.2 t80 -70.55 -29.83 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.505 ' O ' HD12 ' A' ' 161' ' ' LEU . 4.4 tt0 -54.38 -45.36 72.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.68 -34.01 35.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -59.04 -56.46 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.402 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 6.1 ptt? -62.51 -35.47 79.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -59.36 -46.52 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -55.75 -22.74 25.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -88.1 11.12 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER 80.78 -1.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.3 91.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 16.83 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.24 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.402 ' O ' ' CE ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -68.5 156.75 37.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -97.41 127.3 43.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.671 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 153' ' ' LEU . 1.8 mt -60.1 116.44 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 170' ' ' THR . 0.6 OUTLIER -91.4 15.55 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.0 m -83.09 138.71 33.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 127.55 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.62 116.89 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.23 156.12 42.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -45.54 144.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -53.71 118.54 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.418 ' OG1' ' CE1' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -86.02 168.13 20.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.0 72.55 4.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.85 148.55 39.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.12 130.31 56.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.426 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 28.2 m-85 -59.6 138.4 57.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.03 168.71 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 8.9 mt-10 -46.16 147.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -32.96 74.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -32.8 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 33.8 m-70 -85.05 -36.37 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -50.88 110.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 188' ' ' GLN . 3.8 mm-40 56.72 57.85 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 27.9 t80 -71.2 -45.06 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 193' ' ' ASN . 5.8 mt -67.24 -10.09 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -69.69 -31.97 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.583 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -83.41 -36.85 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.739 ' O ' HD23 ' A' ' 190' ' ' LEU . 0.1 OUTLIER -129.14 104.97 18.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -13.61 21.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -101.42 12.89 36.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -70.01 -158.29 2.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 111.011 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.8 tp -109.9 14.79 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -93.78 107.33 19.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -147.25 87.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -87.26 23.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -49.87 -25.86 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.17 137.89 49.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.45 170.01 16.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -78.39 148.02 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.53 163.75 48.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -39.05 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.13 -20.34 59.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -39.18 13.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -50.45 155.29 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.06 151.5 3.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -27.37 9.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 126.04 161.21 10.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.58 159.64 41.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.76 88.46 4.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 m -133.45 99.25 14.55 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.86 18.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.4 mtt -112.35 129.95 23.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.69 29.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.522 1.801 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.4 t -112.28 127.78 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 152.53 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.449 ' O ' HD23 ' A' ' 27' ' ' LEU . 22.3 m -74.81 -39.92 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.413 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 26' ' ' THR . 18.3 mt -133.05 168.61 18.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 59.0 t-80 -64.6 169.06 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.58 -64.27 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG2' ' HB3' ' A' ' 191' ' ' HIS . 9.9 t -91.13 -49.68 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' N ' ' ND1' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.36 -27.62 64.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.21 25.76 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' C ' ' A' ' 31' ' ' ASN . 2.8 m170 -100.46 -171.82 2.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.43 121.16 9.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -48.59 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 38' ' ' VAL . 21.1 p -98.16 -49.64 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -51.44 127.04 18.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' THR . 76.4 t -116.47 133.54 22.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.44 36.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.39 119.38 8.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -16.0 31.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.478 ' HG3' HG12 ' A' ' 99' ' ' VAL . 23.0 tpp -88.91 144.58 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.744 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.4 mt-10 -128.46 164.32 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.894 HG12 HG22 ' A' ' 99' ' ' VAL . 7.1 mt -110.77 155.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.691 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -142.34 129.74 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.518 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 2.8 mp -111.03 124.99 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.691 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 25.3 m-85 -145.69 143.5 29.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.74 113.65 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.662 ' HB2' HG11 ' A' ' 55' ' ' VAL . 3.5 mmm -126.16 18.85 7.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.24 -136.83 13.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -41.5 110.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 39.0 p90 -82.41 -2.65 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.571 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 47.5 m0 -70.7 -61.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.78 -44.19 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.662 HG11 ' HB2' ' A' ' 49' ' ' MET . 79.8 t -51.88 -57.86 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 6.3 tt0 -56.07 -40.89 74.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -53.86 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -55.42 -48.13 74.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 5.0 m-85 -60.63 -32.19 71.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.402 ' CD1' ' NE2' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -75.13 -39.87 60.17 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -72.75 -3.8 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.067 HD11 HG11 ' A' ' 113' ' ' VAL . 19.5 mt -82.28 142.26 47.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.71 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 119.45 -15.47 10.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.137 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.728 HG21 ' O ' ' A' ' 59' ' ' PHE . 59.5 t -88.11 114.26 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.28 -52.97 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 m -148.66 158.97 44.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.5 p -136.77 160.01 40.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.87 157.48 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.946 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.42 141.55 49.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.583 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -175.78 -159.31 21.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -137.98 151.92 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -167.85 171.2 10.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.71 -16.18 59.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.567 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.16 -171.9 47.77 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -113.99 -31.94 6.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.44 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -58.43 120.17 42.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.3 Cg_endo -74.99 132.85 15.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 9.9 m120 52.4 63.97 8.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.541 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 169.04 23.5 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.429 ' N ' ' OE1' ' A' ' 84' ' ' GLU . 78.2 m -122.19 152.54 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -50.52 -46.93 57.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -60.0 -39.01 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 66.0 mt-10 -68.1 -49.4 61.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 133' ' ' GLN . 81.6 t -60.85 -36.39 71.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -37.73 72.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -48.73 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.12 19.4 21.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 4.0 m-20 -98.6 17.16 19.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 62.0 p -113.58 -29.03 7.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.23 3.78 86.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.5 m-70 -84.18 143.84 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.63 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.38 166.68 12.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.516 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -69.8 116.58 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.31 151.4 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.7 m -141.65 141.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' A' ' 179' ' ' PHE . 17.2 mtt-85 -94.75 116.54 28.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.712 HG23 HG13 ' A' ' 65' ' ' VAL . 3.2 mp -108.23 132.02 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.894 HG22 HG12 ' A' ' 44' ' ' ILE . 17.1 t -110.74 114.0 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD2' ' CD1' ' A' ' 110' ' ' LEU . 4.7 p90 -134.29 165.92 24.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' SD ' ' A' ' 42' ' ' MET . 0.8 OUTLIER -99.35 137.66 20.38 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.5 21.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -17.56 30.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.446 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.4 t -101.98 -65.01 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 20.4 tt -109.75 157.1 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 p -117.26 144.52 44.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.4 p90 -49.85 -33.62 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.528 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -60.45 -42.84 96.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -64.73 -48.91 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 17.1 mt -55.28 -52.5 63.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 9.9 mt -54.77 -45.83 74.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 116' ' ' GLU . 9.1 tt0 -58.71 -46.37 87.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.067 HG11 HD11 ' A' ' 62' ' ' LEU . 39.5 t -55.49 -42.62 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.808 ' CE1' ' CE2' ' A' ' 59' ' ' PHE . 4.3 m-30 -61.64 -33.78 74.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 16.4 m95 -86.23 -19.91 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' GLN . 1.1 tt0 -93.69 -9.06 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.625 ' OD1' HD22 ' A' ' 58' ' ' LEU . 2.5 m-80 -113.88 -35.91 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -135.0 168.06 19.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.63 144.01 28.42 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.3 Cg_endo -75.03 -0.07 9.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -126.61 50.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -93.79 12.91 24.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.475 ' N ' HG21 ' A' ' 170' ' ' THR . . . 40.79 -149.72 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -87.02 44.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 111.013 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -154.62 151.04 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -139.69 115.97 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.17 -117.44 10.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.127 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.13 24.92 12.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.795 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 2.6 m-20 -115.05 146.13 41.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER -119.9 142.8 48.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 149.52 5.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 124' ' ' MET . 20.6 m -76.75 0.24 21.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.456 ' OE1' HG12 ' A' ' 85' ' ' VAL . 17.3 pt20 -95.21 -0.24 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 19.8 m-85 -110.06 40.1 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -164.38 0.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 t -139.72 123.57 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.78 161.83 41.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.52 HG22 ' HD3' ' A' ' 140' ' ' PRO . 9.1 mt -130.34 138.93 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 177' ' ' THR . 62.3 m-85 -134.15 87.25 34.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.52 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.97 176.61 9.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.1 mm? -112.93 -31.87 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -109.6 167.46 9.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.54 3.07 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -32.32 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -73.53 -41.71 62.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.446 ' OD2' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -62.97 -44.41 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.09 -38.03 87.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.87 -40.68 65.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.43 -54.04 50.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -64.07 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.449 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 20.6 p -59.0 -37.28 76.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.572 HD12 HG22 ' A' ' 171' ' ' THR . 6.1 tt -61.82 -50.47 72.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -56.54 -36.66 69.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -47.39 83.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.533 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 1.1 t80 -64.58 -35.58 81.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.483 ' O ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -52.64 -41.88 64.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.71 -35.47 38.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -63.88 -35.17 79.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.9 mtp -56.24 -49.59 73.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 157' ' ' GLN . 2.2 mm? -52.53 -38.1 59.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 208' ' ' PRO . . . -63.79 -30.22 71.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 205' ' ' VAL . . . -92.69 24.2 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.4 t0 47.7 31.98 2.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.21 99.54 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.39 10.17 18.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -55.9 159.16 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -98.5 122.86 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.56 124.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.7 t -100.62 -20.51 15.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.572 HG22 HD12 ' A' ' 153' ' ' LEU . 1.1 m -55.76 132.7 49.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.14 126.78 34.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.446 ' CG2' ' OD2' ' A' ' 146' ' ' ASP . 2.3 mp -103.89 132.48 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.41 162.76 38.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -52.11 140.23 21.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.04 128.85 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 139' ' ' TYR . 2.5 p -101.27 167.4 10.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 79.83 2.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.99 148.02 41.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -115.62 124.94 52.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.69 139.71 57.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.583 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -88.3 169.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.16 158.87 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -37.62 87.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.62 -36.8 69.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -83.18 -36.19 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.566 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.49 118.3 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 191' ' ' HIS . 10.0 mp0 52.92 53.05 12.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 10.7 t80 -68.85 -49.87 54.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.436 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -62.97 -14.01 42.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.527 ' CG ' ' HB3' ' A' ' 188' ' ' GLN . 22.6 m80 -82.36 -31.03 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -76.63 -40.97 47.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.4 116.28 41.75 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -22.11 15.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -110.05 18.49 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.3 -164.99 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.91 112.74 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.6 p -140.19 147.12 39.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -161.46 -43.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.48 HD11 ' O ' ' A' ' 117' ' ' ASN . 18.5 tt -49.99 149.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 133.78 49.7 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.83 54.01 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.8 170.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.91 84.45 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 163' ' ' ALA . 61.2 t -69.98 155.61 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.01 121.61 45.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 153.29 1.54 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.475 ' HB3' ' HB2' ' A' ' 162' ' ' ALA . 18.2 Cg_endo -75.0 128.88 11.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 120.69 6.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.787 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.92 -39.63 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.8 14.95 23.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.27 157.03 14.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -126.76 112.54 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -87.21 29.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 7.5 23.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -60.26 98.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.646 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD11 ' CG2' ' A' ' 132' ' ' THR . 1.6 mm? -112.58 163.51 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.43 145.13 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.54 153.97 93.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.065 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -31.9 5.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.574 1.828 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.12 -25.82 58.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.614 1.196 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.32 -35.38 15.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -51.53 158.82 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.1 152.26 88.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -9.28 20.74 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.85 -176.45 9.15 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.168 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -129.01 172.58 11.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 0.816 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 19' ' ' ASN . 18.8 p-10 -96.29 95.91 8.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 p -144.15 100.4 4.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.87 28.47 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.42 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 21.8 mmt -98.24 135.13 21.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -74.98 146.56 32.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.01 147.93 30.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.72 154.22 38.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 -43.96 80.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mt -123.86 169.38 11.63 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.1 t-80 -64.17 168.53 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.32 -64.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 22.1 t -90.21 -48.58 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -58.01 -32.89 68.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.401 1.063 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.13 17.96 8.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -100.57 168.61 9.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.542 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 79.1 p -50.3 119.95 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.917 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.471 ' HE3' ' HG2' ' A' ' 187' ' ' GLN . 0.4 OUTLIER -80.07 -53.88 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.6 p -73.83 -54.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -54.47 136.73 44.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.428 1.08 . . . . 0.0 109.247 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 44' ' ' ILE . 2.4 t -123.52 134.85 25.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.08 140.16 24.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.82 127.32 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.1 -21.73 24.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.059 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 ttm -88.63 164.56 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.07 165.12 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.229 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.715 HD11 HG21 ' A' ' 38' ' ' VAL . 5.4 mt -114.33 153.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.597 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -143.3 126.26 16.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.178 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 179' ' ' PHE . 5.1 mt -95.59 125.02 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -136.3 147.27 47.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.3 121.57 24.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.588 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 12.9 mtp -141.6 39.24 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 -123.4 9.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.118 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.9 p -44.68 109.99 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 38.7 p90 -85.03 -2.79 58.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.719 ' HB3' HD23 ' A' ' 190' ' ' LEU . 52.4 m0 -70.04 -60.29 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 107.968 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.31 -44.75 16.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -51.91 -42.57 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 30.2 tt0 -67.78 -49.12 64.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -55.8 -52.04 65.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -54.78 -34.93 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.512 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.6 m-85 -76.56 -41.57 45.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -47.29 72.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -73.35 -3.47 27.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.712 HD11 HG11 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -69.55 138.15 88.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.26 3.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 116.87 -6.58 17.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.94 118.25 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 109.362 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.2 t80 -71.55 -43.89 65.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.92 162.31 18.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.944 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 46.4 p -129.86 169.37 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.818 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -149.9 159.63 44.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -115.8 141.52 47.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.224 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -171.73 177.96 44.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.468 ' CE1' ' HB3' ' A' ' 180' ' ' TYR . 1.1 p90 -122.54 148.08 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 0.725 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 t -170.33 171.86 6.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.345 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.63 -6.03 51.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.488 ' N ' ' ND1' ' A' ' 92' ' ' HIS . . . -111.19 -172.85 19.63 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -109.02 -31.95 7.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 0.807 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 80' ' ' PRO . 3.0 m -50.36 116.95 7.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.01 138.63 23.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.462 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 78.9 m-20 39.96 61.83 5.98 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.594 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.0 170.71 19.83 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -124.53 165.31 18.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -54.14 -33.64 58.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -50.38 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.419 1.074 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 4.9 mt-10 -54.85 -50.82 67.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' HA ' HG21 ' A' ' 90' ' ' THR . 39.1 t -59.77 -42.74 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -36.86 50.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 108.255 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -49.64 49.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.34 8.0 57.84 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.446 1.092 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 5.0 t70 -96.6 20.77 10.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.463 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -106.91 -35.25 6.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.407 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 91.66 -6.39 79.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 80.8 m-70 -85.62 144.02 28.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 109.657 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.608 ' HB2' ' NH2' ' A' ' 135' ' ' ARG . . . -120.33 167.86 11.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -74.41 115.7 14.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.23 164.76 19.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -144.47 135.26 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.818 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 0.4 OUTLIER -85.52 128.18 34.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -117.27 127.38 74.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.589 1.181 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 HG22 HG12 ' A' ' 44' ' ' ILE . 5.9 t -112.87 114.88 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HD2' HG23 ' A' ' 105' ' ' ILE . 17.0 p90 -137.6 165.16 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.594 1.184 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.66 138.66 19.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.01 -7.71 19.4 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t -89.29 -24.5 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 ' HA2' ' A' ' 64' ' ' GLY . 54.1 t -100.12 -59.01 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 100' ' ' TYR . 18.2 tt -118.89 163.46 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -122.53 162.91 20.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 24.7 p90 -62.18 -35.59 79.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.603 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 tp10 -61.18 -46.58 89.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.17 -41.27 92.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.405 HD21 HD13 ' A' ' 105' ' ' ILE . 87.1 mt -61.56 -45.87 92.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.592 ' CD2' HD13 ' A' ' 138' ' ' ILE . 34.7 mt -58.39 -41.25 84.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.219 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -46.12 90.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.712 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -56.52 -39.08 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.588 ' CZ ' ' CG ' ' A' ' 49' ' ' MET . 3.1 t80 -57.55 -52.71 64.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.712 ' CH2' HD11 ' A' ' 138' ' ' ILE . 3.5 m95 -67.67 -22.39 65.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.05 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.668 ' O ' HD11 ' A' ' 203' ' ' ILE . 9.2 mt-10 -92.48 -2.08 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.513 ' ND2' HD13 ' A' ' 58' ' ' LEU . 10.7 t-20 -102.95 -35.5 8.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -169.55 169.82 8.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.072 . . . . 0.0 109.564 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 121' ' ' ALA . 1.1 p-10 -97.4 124.03 50.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -74.97 24.44 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -126.06 50.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.97 19.34 15.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.55 -148.88 15.11 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.12 50.35 1.4 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.413 0.714 . . . . 0.0 110.967 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -155.06 155.88 34.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' OE1' ' N ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -147.17 125.71 12.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.442 ' N ' ' OE1' ' A' ' 126' ' ' GLN . . . 65.6 -121.89 21.18 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -111.17 21.55 16.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 0.738 . . . . 0.0 109.23 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 16.1 m-20 -113.8 144.3 43.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -118.45 137.32 53.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.614 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 157.76 148.4 5.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.622 ' CG2' HD11 ' A' ' 8' ' ' LEU . 5.7 m -71.11 -5.48 31.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.84 -4.73 54.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 21.2 m-85 -102.91 38.87 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.065 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.608 ' NH2' ' HB2' ' A' ' 93' ' ' ALA . 9.2 mtm105 -88.54 177.49 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 p -126.44 137.0 53.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.84 147.73 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.712 HD11 ' CH2' ' A' ' 115' ' ' TRP . 53.2 mt -110.15 136.71 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -131.08 84.69 56.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.546 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.1 Cg_endo -75.08 172.88 15.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -111.18 -22.48 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.4 HG23 ' OE1' ' A' ' 145' ' ' GLN . 9.7 p -115.48 163.58 20.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.44 6.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.57 -30.76 70.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 64.4 mt-30 -74.42 -39.29 62.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.499 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.3 OUTLIER -63.6 -51.59 64.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.17 -45.5 87.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.93 -53.27 60.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.521 ' HG2' HD13 ' A' ' 173' ' ' ILE . 5.2 mmm180 -60.27 -45.3 93.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.94 -46.7 89.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.8 p -63.69 -39.5 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.623 ' HG ' HD13 ' A' ' 169' ' ' ILE . 10.2 tt -63.99 -51.93 61.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.08 -35.08 74.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -32.45 63.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.591 ' HD2' HD11 ' A' ' 169' ' ' ILE . 41.1 t80 -74.86 -32.71 61.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -39.46 59.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.07 -34.21 57.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.3 -56.17 25.31 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.465 ' HE1' ' HA ' ' A' ' 168' ' ' HIS . 2.9 ptt? -59.58 -33.76 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.66 -38.37 72.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.594 ' HB2' ' HD3' ' A' ' 209' ' ' PRO . . . -67.73 -25.83 65.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.67 -5.05 51.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.2 t70 79.69 25.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.71 109.1 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.16 -2.08 56.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.13 98.71 6.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.465 ' HA ' ' HE1' ' A' ' 160' ' ' MET . 5.1 t60 -62.62 146.46 51.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.619 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.623 HD13 ' HG ' ' A' ' 153' ' ' LEU . 95.0 mt -55.33 136.25 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -109.34 -39.49 5.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.441 HG22 ' CG2' ' A' ' 169' ' ' ILE . 5.4 t -40.49 149.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.438 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -125.64 152.44 45.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 150' ' ' ARG . 6.5 mt -114.77 133.41 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.98 162.63 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.217 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.09 141.93 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -46.33 128.8 10.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.1 p -106.78 163.33 17.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 98.64 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.589 1.836 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.8 p90 -98.15 147.51 24.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.468 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -109.29 142.99 39.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -66.89 145.1 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.6 166.89 13.36 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.639 1.212 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.57 158.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -39.64 78.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 67.0 m-70 -77.92 -36.21 49.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.471 ' HG2' ' HE3' ' A' ' 35' ' ' MET . 0.0 OUTLIER -53.54 114.45 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 29' ' ' ALA . 5.0 mm-40 53.05 54.54 10.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.573 ' CE1' ' OD1' ' A' ' 193' ' ' ASN . 31.4 t80 -63.92 -46.56 84.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.734 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -62.15 -14.58 38.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.84 -45.35 36.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.573 ' OD1' ' CE1' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -137.19 102.68 8.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.01 11.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -98.38 7.74 45.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -68.23 -155.94 0.77 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.734 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.6 OUTLIER -49.7 112.61 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 111.069 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.7 p -138.86 160.02 40.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 108.279 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 121.26 56.05 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.593 1.183 . . . . 0.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 10.3 tt -107.07 -46.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -50.85 117.11 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 156.62 99.83 0.16 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.668 HD11 ' O ' ' A' ' 116' ' ' GLU . 0.7 OUTLIER -120.18 -62.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.433 0.725 . . . . 0.0 109.316 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 111.9 -24.73 14.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 160' ' ' MET . 16.8 t -90.57 129.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 0.726 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.29 -59.75 1.75 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 108.365 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 4.3 pp -140.12 151.32 64.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.42 14.53 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.594 ' HD3' ' HB2' ' A' ' 162' ' ' ALA . 18.3 Cg_endo -75.07 -172.12 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.27 -37.25 77.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.324 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.89 -14.31 14.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -66.84 141.37 57.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.59 149.92 20.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.19 30.05 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -87.01 9.7 18.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -60.19 133.29 55.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.406 1.066 . . . . 0.0 109.618 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.23 167.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG2' ' HB3' ' A' ' 13' ' ' ASP . 9.9 p -50.04 165.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -98.88 174.28 3.21 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 18.6 Cg_endo -74.99 -38.0 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.567 1.825 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.88 58.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -85.4 -36.59 20.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.14 156.99 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.99 112.99 55.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.82 4.08 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -127.18 102.82 0.63 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 136.05 35.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -104.86 169.46 8.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.654 HG23 ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -69.83 144.21 93.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.01 152.99 41.39 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.8 mtt -93.66 155.56 40.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.91 19.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.514 1.797 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.0 t -101.52 129.88 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.23 166.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 HG22 ' HG ' ' A' ' 27' ' ' LEU . 3.7 m -78.7 -42.29 28.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.432 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HG ' HG22 ' A' ' 26' ' ' THR . 5.9 mt -128.77 -176.85 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.3 t-80 -71.86 168.26 18.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -71.5 -65.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG22 ' CE1' ' A' ' 191' ' ' HIS . 16.8 t -90.54 -46.86 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.165 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.554 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -59.04 -31.79 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 54.07 17.95 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 34' ' ' SER . 1.2 t60 -100.17 170.07 8.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.547 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 3.1 m -52.39 119.95 5.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 mtp -79.85 -54.64 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.1 p -74.92 -55.04 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.14 128.41 35.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 44' ' ' ILE . 2.8 t -119.2 136.03 24.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -74.97 141.37 26.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.03 136.97 58.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.08 -5.07 52.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.0 mtt -116.41 162.25 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.744 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.34 166.9 22.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 99' ' ' VAL . 9.5 mt -107.14 150.8 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -134.59 124.6 25.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.64 126.38 54.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.482 ' CE1' HG23 ' A' ' 138' ' ' ILE . 25.4 m-85 -136.71 146.98 46.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.83 110.01 13.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.606 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 2.3 mtp -131.29 39.57 3.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.29 -129.98 18.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.649 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.5 p -43.53 109.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -83.41 0.3 46.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -73.18 -60.39 2.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 107.961 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.8 -31.62 55.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 51' ' ' CYS . 74.6 t -67.26 -48.4 78.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.9 tt0 -56.0 -56.7 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 58' ' ' LEU . 1.3 ppt_? -61.16 -24.19 66.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.596 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -63.52 -44.65 93.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' HD22 ' A' ' 110' ' ' LEU . 40.7 m-85 -79.46 -34.78 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -49.85 75.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 107.977 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -64.72 -25.78 68.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.845 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -61.2 135.67 93.63 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.845 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 125.62 -13.97 7.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 HG23 ' A' ' 98' ' ' ILE . 80.2 t -88.45 111.27 22.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.4 OUTLIER -70.15 -45.63 66.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.603 1.189 . . . . 0.0 110.99 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -169.69 154.8 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.07 161.94 36.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.388 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -145.39 140.66 27.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -86.4 143.72 27.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.93 -170.25 26.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.659 ' CE1' ' CB ' ' A' ' 180' ' ' TYR . 2.1 p90 -137.23 146.15 44.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 0.759 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -170.19 164.46 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 2.16 34.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -103.59 -164.67 25.3 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.592 0.819 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 11' ' ' PRO . 58.5 m-85 -117.99 -34.15 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.416 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 35.5 m -57.05 123.76 61.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.77 20.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.6 m-20 45.9 63.64 9.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.0 164.83 32.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.819 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.7 t -124.83 159.18 31.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -50.05 -46.02 52.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' CG ' HG22 ' A' ' 81' ' ' THR . 44.4 mt-10 -65.92 -46.29 78.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG13 ' OE1' ' A' ' 133' ' ' GLN . 71.2 t -58.08 -42.96 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 37.7 t -54.32 -40.91 68.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -50.01 75.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.92 6.34 56.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.43 21.1 7.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.9 p -110.97 -24.51 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.75 68.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 88.7 m-70 -82.86 139.4 33.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.617 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.87 161.16 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.62 114.49 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 160.23 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 23.8 t -138.08 133.12 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.636 ' NE ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -90.15 114.56 26.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.61 HG23 HG13 ' A' ' 65' ' ' VAL . 3.5 mp -99.83 131.58 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 44' ' ' ILE . 6.1 t -109.74 114.53 47.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.523 ' CD1' HG23 ' A' ' 105' ' ' ILE . 11.2 p90 -135.27 165.27 25.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.83 137.2 19.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -16.86 28.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.9 t -113.8 -62.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.523 HG23 ' CD1' ' A' ' 100' ' ' TYR . 18.8 tt -112.76 163.9 9.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.412 1.07 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -125.28 159.53 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -56.82 -33.7 66.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.7 tt0 -64.1 -40.79 96.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -61.53 -37.66 84.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.633 HD22 ' CD1' ' A' ' 59' ' ' PHE . 82.1 mt -74.98 -34.57 62.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.848 HD21 ' CH2' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -75.48 -33.77 60.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.215 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.81 -55.26 15.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.721 HG11 HD11 ' A' ' 62' ' ' LEU . 6.6 p -57.39 -34.52 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.606 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 22.3 t80 -51.8 -51.54 55.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.848 ' CH2' HD21 ' A' ' 111' ' ' LEU . 6.2 m0 -59.48 -31.72 69.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -93.03 7.64 43.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.744 HD22 HD11 ' A' ' 200' ' ' ILE . 24.6 m120 -112.4 -49.75 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 49' ' ' MET . 7.7 m80 -138.59 167.07 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -107.79 135.87 19.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.98 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.55 49.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.33 -11.25 18.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 71.75 -175.93 40.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 6' ' ' LYS . 1.2 mtt -69.27 59.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.409 0.711 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' GLY . 4.4 ptp180 -179.8 152.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.438 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 32.5 tp60 -142.07 137.94 31.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.01 -128.55 26.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -93.92 16.2 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.352 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.36 128.13 54.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -120.02 131.23 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.636 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.61 157.08 9.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.403 1.065 . . . . 0.0 111.009 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 m -76.21 -0.53 22.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.603 0.825 . . . . 0.0 110.42 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' A' ' 85' ' ' VAL . 12.1 mm-40 -95.99 -5.86 40.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 110.235 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -108.35 44.51 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 136' ' ' SER . 73.2 ttt180 -92.76 166.0 12.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 135' ' ' ARG . 12.4 t -104.45 125.41 50.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.85 146.52 20.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 47' ' ' PHE . 79.5 mt -112.72 133.25 59.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.52 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 41.1 m-85 -125.06 84.38 59.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.519 1.8 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 141' ' ' LEU . 2.5 mm? -113.52 -28.0 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.6 p -103.02 161.26 23.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.74 6.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.67 -31.58 68.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -73.12 -39.14 65.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.01 -46.89 87.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.61 -40.38 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -67.16 -44.54 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.09 -54.25 49.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.22 -37.78 86.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.83 -40.76 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 p -78.68 -36.43 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.2 tt -60.64 -51.95 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.6 -33.73 74.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -40.57 61.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 0.4 OUTLIER -51.68 -37.39 50.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -53.5 -49.8 66.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.332 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.33 -38.98 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 206' ' ' CYS . . . -51.53 -56.77 11.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 14.2 ptm -64.0 -34.72 78.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 111.068 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -48.39 76.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.58 -21.95 61.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -81.0 2.86 25.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.8 t70 81.47 8.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.97 103.55 15.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.23 11.15 19.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.256 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 159.03 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -98.68 122.29 41.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.635 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.11 114.76 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.424 HG21 ' HA2' ' A' ' 123' ' ' GLY . 81.7 p -95.08 10.42 35.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.505 HG21 ' CB ' ' A' ' 120' ' ' PRO . 5.9 t -87.58 141.05 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.06 149.18 37.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 153' ' ' LEU . 3.5 mt -108.46 129.85 62.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.52 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -132.41 160.12 37.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -58.89 146.38 37.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -71.15 116.68 11.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.424 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.6 OUTLIER -101.72 178.35 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.07 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.581 ' CE1' ' HD3' ' A' ' 97' ' ' ARG . 4.4 p90 -65.27 150.69 47.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.659 ' CB ' ' CE1' ' A' ' 72' ' ' TYR . 39.8 m-85 -109.21 124.6 51.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.409 ' HA ' ' NH2' ' A' ' 97' ' ' ARG . 15.5 m-85 -64.57 131.58 47.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.29 170.04 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.521 ' HG2' ' CD2' ' A' ' 186' ' ' HIS . 6.0 pt-20 -65.0 161.14 19.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.206 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.94 -31.94 73.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -25.61 59.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.521 ' CD2' ' HG2' ' A' ' 183' ' ' GLU . 56.4 m-70 -99.91 -48.7 4.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -54.08 133.1 43.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 42.51 48.65 4.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.331 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.556 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.0 t80 -64.42 -50.26 68.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -28.48 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.5 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -75.71 -36.45 60.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -66.07 -31.27 72.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.13 103.08 14.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.4 21.37 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.425 1.75 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -107.63 7.28 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.88 -158.21 0.02 OUTLIER Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.437 1.085 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -110.4 131.36 55.12 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.465 0.744 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.5 p -113.51 128.07 56.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -96.7 -31.33 7.11 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.744 HD11 HD22 ' A' ' 117' ' ' ASN . 5.8 tt -56.01 150.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -164.26 -42.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 124.24 126.93 3.12 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.75 HD12 HG23 ' A' ' 205' ' ' VAL . 0.1 OUTLIER -82.36 -50.48 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 64.2 88.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.427 1.079 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.75 HG23 HD12 ' A' ' 203' ' ' ILE . 1.3 t -131.37 140.68 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . 0.679 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 7.4 t -42.66 122.59 2.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 108.321 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.12 155.29 80.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.2 Cg_endo -75.06 154.28 42.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.468 1.772 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.2 Cg_endo -75.09 164.12 33.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -56.64 149.56 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.79 15.02 23.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -103.03 111.06 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -140.05 58.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -87.23 30.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -86.54 9.84 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.96 105.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.648 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.557 HD21 ' HB ' ' A' ' 132' ' ' THR . 0.3 OUTLIER -73.18 169.99 15.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -41.33 145.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.11 168.97 21.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' O ' ' CD2' ' A' ' 76' ' ' TYR . 18.5 Cg_endo -74.96 -41.27 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.98 -26.21 63.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.83 -39.35 24.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.04 142.19 12.62 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.01 113.31 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.381 1.051 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLY . 18.1 Cg_endo -75.02 85.29 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' PRO . . . -43.63 -95.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -157.13 176.47 12.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 0.766 . . . . 0.0 110.273 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -104.49 96.82 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.47 99.26 7.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.434 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.81 22.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 mtt -87.81 160.53 46.75 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 147.66 33.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -120.41 128.71 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.13 152.08 17.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' HD23 ' A' ' 27' ' ' LEU . 58.6 m -75.35 -40.62 58.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.46 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 26' ' ' THR . 73.6 mt -125.66 168.15 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 60.4 t-80 -72.23 164.66 25.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.584 1.177 . . . . 0.0 109.646 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.797 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -73.64 -65.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 191' ' ' HIS . 38.8 t -86.46 -51.1 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.576 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -56.21 -34.92 66.75 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 65.03 6.28 24.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 28' ' ' HIS . 39.5 m170 -101.44 159.03 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 p -64.79 118.83 9.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -28.75 35.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.143 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.4 p -74.84 -45.8 40.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.4 133.17 55.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 44' ' ' ILE . 54.4 t -123.22 113.88 29.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 146.47 32.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.31 127.69 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 100.49 -20.47 48.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HB3' HG13 ' A' ' 38' ' ' VAL . 32.7 tpp -79.95 143.46 34.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -127.42 167.42 16.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.83 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.9 mt -117.39 155.17 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -143.23 125.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.52 HD12 ' HB1' ' A' ' 176' ' ' ALA . 30.4 mt -102.63 124.87 56.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -131.57 146.63 52.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 137' ' ' ALA . . . -124.66 110.0 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -132.76 16.59 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 87.92 -124.83 7.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -41.89 109.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 40.1 p90 -84.57 -2.18 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.619 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 46.8 m0 -70.02 -59.94 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.14 -44.55 17.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 51' ' ' CYS . 79.0 t -52.3 -57.21 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG3' ' CG1' ' A' ' 96' ' ' VAL . 30.6 tt0 -61.83 -35.2 77.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.71 -55.26 18.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.659 HD21 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -59.03 -33.18 70.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.6 OUTLIER -63.34 -55.86 21.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -68.29 -14.72 63.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.027 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.31 -0.12 48.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -96.47 143.21 25.72 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 109.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 131.33 -8.99 5.63 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.609 1.193 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 59' ' ' PHE . 83.4 t -90.17 121.85 40.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.596 0.821 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -80.05 -46.98 15.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -160.64 160.67 31.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 41.4 p -139.83 158.59 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.81 152.66 32.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.4 149.95 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.83 -173.8 37.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' CD2' HG21 ' A' ' 85' ' ' VAL . 68.4 m-85 -126.73 146.78 50.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -167.86 163.91 14.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.443 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.32 -5.86 38.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.579 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -117.53 165.11 12.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 11' ' ' PRO . 66.7 t80 -86.03 -33.0 21.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 0.75 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.453 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.9 m -49.89 116.77 6.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.0 23.79 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.3 m120 45.83 64.1 8.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.9 154.43 43.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.44 1.758 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 85' ' ' VAL . 31.7 m -118.33 160.41 21.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.43 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -52.26 -45.36 65.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.148 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -46.07 85.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.47 -49.01 73.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 90' ' ' THR . 90.4 t -57.96 -36.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -32.0 68.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -49.25 60.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.51 10.07 58.37 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -99.61 17.88 19.39 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.59 0.818 . . . . 0.0 109.367 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.547 HG21 ' HA ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -105.55 -35.57 7.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.05 -3.54 84.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 47.5 m-70 -83.39 142.26 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.794 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.86 173.83 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 133' ' ' GLN . 4.0 tp10 -83.6 114.82 21.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.57 164.0 23.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.0 t -142.04 135.98 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -89.74 130.91 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.726 HD11 ' CE2' ' A' ' 59' ' ' PHE . 2.7 mp -126.96 132.33 70.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.78 HG22 HG12 ' A' ' 44' ' ' ILE . 84.5 t -114.94 114.63 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.629 ' CD2' HD11 ' A' ' 110' ' ' LEU . 14.4 p90 -134.42 165.07 26.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.63 136.13 19.38 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.2 Cg_endo -75.02 -13.17 21.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 t -87.48 -10.44 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.047 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 39.3 t -112.75 -56.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 100' ' ' TYR . 17.9 tt -117.93 163.34 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.3 p -117.85 155.95 29.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 30.5 p90 -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 9.4 tt0 -58.72 -41.14 85.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -59.55 -51.56 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.629 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.9 mt -57.03 -39.62 75.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.526 ' CD2' HD13 ' A' ' 138' ' ' ILE . 7.0 mt -71.22 -33.53 69.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -58.88 -55.39 35.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.53 -35.86 39.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE1' ' SD ' ' A' ' 49' ' ' MET . 7.5 t80 -48.85 -56.87 7.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.83 -21.2 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 3.87 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.721 ' OD1' HG22 ' A' ' 113' ' ' VAL . 26.4 m120 -130.55 -47.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' PHE . 2.1 t-160 -138.71 146.53 41.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.92 141.23 31.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.07 0.93 8.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -120.67 48.39 1.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' NE2' ' A' ' 118' ' ' HIS . 3.7 tp-100 -96.0 4.92 52.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.539 ' N ' HG21 ' A' ' 170' ' ' THR . . . 62.25 -179.36 4.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 62.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 179.91 157.82 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -149.16 142.56 25.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.21 -120.75 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.26 14.81 23.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 22.9 m-20 -110.59 137.91 47.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -120.14 143.42 48.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.603 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.1 166.35 14.38 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.557 ' HB ' HD21 ' A' ' 8' ' ' LEU . 77.8 p -80.38 0.28 33.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 0.783 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -93.62 -27.09 16.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 40.1 m-85 -97.73 62.17 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -119.27 -173.4 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.317 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -111.7 131.46 55.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -159.91 142.45 13.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.526 HD13 ' CD2' ' A' ' 111' ' ' LEU . 96.1 mt -117.76 125.7 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.567 1.167 . . . . 0.0 109.237 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -115.51 86.79 15.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.64 28.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 44' ' ' ILE . 22.2 mt -112.27 -32.28 6.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.0 p -105.07 164.03 15.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.379 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.17 9.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.93 -32.25 67.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -72.28 -38.07 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -63.28 -50.93 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.18 -42.83 77.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.3 -36.27 74.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.28 -53.89 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -63.81 -33.21 75.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.415 ' HB1' ' NH1' ' A' ' 155' ' ' ARG . . . -54.56 -40.95 69.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.2 p -69.55 -40.65 76.7 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.39 1.056 . . . . 0.0 110.002 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.749 HD12 HG23 ' A' ' 171' ' ' THR . 5.5 tt -62.23 -47.1 85.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.88 -40.82 75.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.415 ' NH1' ' HB1' ' A' ' 151' ' ' ALA . 26.3 mtt85 -69.06 -33.87 74.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.235 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 38.7 t80 -67.14 -39.06 86.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HB2' HD11 ' A' ' 169' ' ' ILE . 34.9 tt0 -51.78 -39.8 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.54 -34.51 35.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.55 19.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -60.2 -34.05 73.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 161' ' ' LEU . 0.6 OUTLIER -63.24 -41.55 99.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.69 65.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.02 46.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.02 30.45 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -114.69 111.02 20.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.36 19.13 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 147.32 3.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -87.3 140.13 29.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.974 HG23 HG22 ' A' ' 171' ' ' THR . 60.0 mt -76.44 107.61 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.539 HG21 ' N ' ' A' ' 123' ' ' GLY . 5.5 t -93.11 -19.22 21.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.469 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.974 HG22 HG23 ' A' ' 169' ' ' ILE . 9.9 t -57.29 146.65 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 135' ' ' ARG . 0.3 OUTLIER -138.59 138.67 38.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.4 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 3.6 mt -117.11 129.2 74.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -150.44 157.3 42.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -48.71 147.04 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.52 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -58.5 120.59 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.7 p -93.41 163.04 26.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.81 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 97' ' ' ARG . 19.5 p90 -85.86 149.41 25.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.77 134.61 49.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 111.059 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -65.55 141.95 58.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.34 167.83 13.19 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.59 1.181 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.86 165.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.58 -36.19 80.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.09 -30.69 60.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 91.0 m-70 -91.73 -39.95 11.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 119.23 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 28' ' ' HIS . 1.2 mt-30 53.43 50.52 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.576 ' CD1' ' CD2' ' A' ' 53' ' ' TRP . 57.8 t80 -65.24 -51.23 62.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.701 HD11 ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -49.21 -28.25 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.797 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.37 -36.99 71.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.589 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 189' ' ' TYR . 3.5 tttp -78.33 -36.35 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.547 ' ND2' ' CD1' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -119.78 102.0 47.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -17.98 19.38 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 2.1 p90 -102.66 19.24 19.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.899 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.59 -169.87 41.32 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.567 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 -65.95 120.04 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.701 ' SG ' HD11 ' A' ' 190' ' ' LEU . 51.4 m -123.39 -47.31 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -42.54 97.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 201' ' ' GLY . 9.4 tp -61.64 -52.71 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 0.753 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 200' ' ' ILE . . . 157.97 -148.84 18.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -110.59 112.43 3.26 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.5 pp -129.97 170.02 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.91 80.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 67.9 t -135.71 131.14 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 109.372 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 90.1 m -113.06 174.65 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 108.273 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.85 131.19 14.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.02 17.18 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.798 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 90.7 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -50.62 112.28 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.2 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.3 pt? -109.55 -44.02 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -139.6 158.56 43.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.92 63.78 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.33 29.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.36 4.14 25.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -61.08 139.93 57.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.064 . . . . 0.0 109.588 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.5 tp -148.8 153.79 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -94.36 157.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -101.03 174.07 3.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.181 . . . . 0.0 110.014 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.02 -44.95 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.32 -12.18 60.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.59 -33.35 10.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.28 159.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.49 105.69 0.54 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.36 -149.81 5.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.579 1.174 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -171.07 145.99 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.259 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' CG ' ' CG2' ' A' ' 81' ' ' THR . 3.6 t-20 -105.61 167.86 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.9 p -75.31 157.23 85.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 143.12 28.74 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 15.4 mtt -104.09 154.09 38.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.79 42.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.63 150.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.231 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.98 157.55 33.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HD23 ' A' ' 27' ' ' LEU . 32.2 m -89.74 -33.18 16.67 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 26' ' ' THR . 44.9 mt -129.02 157.96 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.86 168.74 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.572 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.844 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.57 -64.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -90.41 -47.68 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.1 t30 -58.37 -32.81 68.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 56.67 16.37 16.27 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -99.7 162.97 12.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.416 0.715 . . . . 0.0 109.586 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 m -60.73 120.22 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -42.93 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -66.12 -50.91 62.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.79 125.47 27.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.636 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -104.37 136.1 19.23 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 150.21 38.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.57 139.28 55.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.98 -15.84 59.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.585 1.178 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.91 162.21 14.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.94 165.43 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 99' ' ' VAL . 12.0 mt -109.87 147.34 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.714 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -131.62 125.07 31.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' CD2' ' A' ' 139' ' ' TYR . 3.5 mt -104.16 132.03 51.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 65.4 m-85 -150.42 140.71 22.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -110.8 109.7 20.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.9 13.9 7.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.47 -129.56 9.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.148 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 55' ' ' VAL . 27.5 p -42.44 109.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' HB2' ' CG1' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -80.7 -4.73 55.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.78 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 18.0 m0 -71.72 -53.61 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 108.045 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.61 -42.35 17.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 51' ' ' CYS . 72.3 t -54.5 -58.45 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.3 pt-20 -54.37 -44.99 72.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.481 ' HD3' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -62.65 -54.8 34.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -36.73 46.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CZ ' ' CE1' ' A' ' 114' ' ' PHE . 5.3 m-85 -80.3 -34.5 36.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.553 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -63.59 -53.65 48.26 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -68.55 -7.82 35.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.797 ' CD1' HG11 ' A' ' 113' ' ' VAL . 5.3 tt -68.44 137.75 91.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.545 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.501 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 123.11 -13.77 8.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -94.26 123.21 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.445 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -77.46 -52.65 8.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.4 m -155.68 160.81 40.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.443 HG22 HG23 ' A' ' 98' ' ' ILE . 7.7 p -137.42 168.57 19.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.337 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.41 159.54 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.994 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.34 135.94 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.26 -164.73 15.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.557 1.161 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 0.9 OUTLIER -148.71 147.39 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.421 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 5.1 t -170.07 163.02 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.34 -12.98 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -98.64 -167.72 31.02 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -109.81 -36.14 5.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 63.8 m -55.24 115.1 8.34 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 133.32 16.54 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.58 ' OD1' ' CE1' ' A' ' 180' ' ' TYR . 8.9 m-20 60.36 62.24 3.31 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.02 169.74 21.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.811 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.495 ' CG2' ' CG ' ' A' ' 19' ' ' ASN . 20.5 p -122.81 150.51 42.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.385 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.95 -34.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.032 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -57.04 9.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 54.3 mt-10 -56.89 -49.8 74.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.9 -46.58 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.8 t -49.77 -42.61 47.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -68.86 -38.87 80.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.6 25.66 24.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.67 14.18 31.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 0.801 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 80.5 p -112.19 -25.15 9.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.68 -10.96 65.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 49.9 m-70 -78.26 146.8 34.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.558 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.07 175.16 6.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -70.45 121.47 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.0 152.82 42.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.205 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.994 HG12 ' HA ' ' A' ' 70' ' ' ALA . 5.1 m -140.39 147.58 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.515 ' HD2' ' CG ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -101.57 115.81 31.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.713 HD13 ' CD2' ' A' ' 59' ' ' PHE . 2.9 mp -108.96 129.57 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 44' ' ' ILE . 23.0 t -105.27 114.73 45.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.569 ' CG ' HD11 ' A' ' 110' ' ' LEU . 19.0 p90 -130.81 165.13 23.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.37 135.78 19.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -12.52 21.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 t -89.51 -21.7 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.501 HG11 ' HA2' ' A' ' 64' ' ' GLY . 74.5 t -94.27 -63.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 110' ' ' LEU . 17.3 tt -117.03 155.78 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.3 p -108.12 142.93 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.009 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.4 p90 -46.35 -28.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.609 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -69.54 -40.75 76.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.17 -36.96 80.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.569 HD11 ' CG ' ' A' ' 100' ' ' TYR . 32.2 mt -62.96 -45.88 90.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 12.4 mt -64.9 -36.46 84.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.2 83.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.797 HG11 ' CD1' ' A' ' 62' ' ' LEU . 2.6 t -68.02 -43.57 85.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.787 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -72.18 -23.8 61.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 26.7 m95 -76.08 -25.81 55.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -103.65 -0.02 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -124.28 21.78 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.422 ' ND1' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -169.68 145.53 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.627 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.57 141.45 23.03 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.06 9.34 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.63 48.84 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.93 -17.53 46.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.218 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 64.96 -155.67 48.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 30.1 mtt -85.3 48.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -155.96 155.15 32.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -143.26 112.68 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.28 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.11 -118.4 13.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.34 23.91 9.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -114.04 133.26 55.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.83 127.24 53.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 109.653 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 162.19 154.7 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.6 p -77.0 0.38 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.73 -5.07 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -107.41 39.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.06 -179.62 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.2 m -127.76 116.1 19.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.419 1.075 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -150.15 159.09 44.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.6 HG22 ' HD3' ' A' ' 140' ' ' PRO . 52.9 mt -118.87 130.01 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.567 ' CD2' HG22 ' A' ' 46' ' ' ILE . 67.1 m-85 -116.11 81.81 10.65 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.6 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.99 160.37 40.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' ' 176' ' ' ALA . 4.3 mp -117.69 -10.31 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.5 OUTLIER -121.69 162.1 38.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.444 ' HA ' ' OD2' ' A' ' 146' ' ' ASP . 18.5 Cg_endo -74.97 -39.32 1.26 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -62.48 -30.52 71.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.474 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.5 tt0 -72.92 -40.74 65.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 143' ' ' PRO . 3.2 m-20 -61.25 -49.64 76.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.91 78.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.69 97.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.15 50.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.499 ' HG2' HD13 ' A' ' 173' ' ' ILE . 4.2 mtt180 -67.16 -48.32 68.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.409 1.068 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.38 72.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.439 ' OG ' ' NE1' ' A' ' 115' ' ' TRP . 89.8 p -69.52 -33.36 72.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.644 HD23 ' C ' ' A' ' 153' ' ' LEU . 4.0 tt -67.84 -51.88 43.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.7 -40.59 95.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -60.14 -43.07 95.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 2.7 m-85 -72.2 -31.52 65.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 160' ' ' MET . 21.2 tt0 -52.1 -33.94 41.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.02 -42.35 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -52.46 -54.04 37.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.889 ' HA ' HG11 ' A' ' 205' ' ' VAL . 22.5 ptm -55.88 -36.22 67.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 165' ' ' ASP . 0.7 OUTLIER -59.41 -42.77 92.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.7 -23.44 64.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.13 5.88 28.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 16.9 t0 77.0 7.9 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.266 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.537 ' O ' HD12 ' A' ' 161' ' ' LEU . 13.1 m-20 -79.33 91.76 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.63 17.04 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 160.12 24.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 169' ' ' ILE . 15.6 t60 -91.7 123.42 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.638 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.775 HG23 HG22 ' A' ' 171' ' ' THR . 7.7 mt -56.59 130.6 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 72.5 p -105.08 -22.98 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.487 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.775 HG22 HG23 ' A' ' 169' ' ' ILE . 10.5 t -64.17 134.75 55.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -131.25 161.99 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.499 HD13 ' HG2' ' A' ' 150' ' ' ARG . 3.2 mt -125.01 122.13 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.76 142.04 38.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -43.74 151.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 141' ' ' LEU . . . -63.39 128.47 35.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.537 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.2 OUTLIER -102.6 -175.53 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.99 97.71 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.515 ' CG ' ' HD2' ' A' ' 97' ' ' ARG . 7.0 p90 -81.98 149.79 27.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.58 ' CE1' ' OD1' ' A' ' 79' ' ' ASN . 40.6 m-85 -125.87 122.7 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -60.34 135.42 57.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.19 169.19 13.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.365 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.21 147.2 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.0 -33.08 74.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -40.8 63.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -90.86 -28.53 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.615 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.453 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -61.23 136.76 58.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.844 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 1.3 pt20 41.81 42.99 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.78 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 17.0 t80 -63.08 -57.88 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.481 HD23 ' HD3' ' A' ' 57' ' ' ARG . 6.2 tp -53.61 -22.74 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 188' ' ' GLN . 9.9 m170 -73.16 -42.62 62.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.653 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.08 74.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -138.36 109.25 8.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.76 18.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -106.42 26.29 10.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -84.86 -160.26 32.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.62 131.9 49.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.5 p -134.4 -176.38 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 108.314 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 103.12 128.44 6.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.562 1.164 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.533 HG23 ' N ' ' A' ' 201' ' ' GLY . 7.7 tp -110.17 -56.09 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 0.807 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . 0.533 ' N ' HG23 ' A' ' 200' ' ' ILE . . . 146.08 -163.0 28.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -110.74 100.76 1.28 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 204' ' ' GLY . 0.7 OUTLIER -128.96 168.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.444 ' H ' HG22 ' A' ' 203' ' ' ILE . . . 128.58 78.9 0.24 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.889 HG11 ' HA ' ' A' ' 160' ' ' MET . 71.8 t -110.71 127.82 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.97 179.28 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 108.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.55 HD12 ' HD2' ' A' ' 208' ' ' PRO . 0.5 OUTLIER -132.61 143.8 50.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.55 ' HD2' HD12 ' A' ' 207' ' ' LEU . 18.0 Cg_endo -75.09 122.25 7.05 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.54 4.61 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.01 97.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tp -109.89 -38.06 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.33 96.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -139.9 150.58 44.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -87.04 30.4 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -50.03 -24.3 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.583 1.177 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -59.92 105.88 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 9' ' ' VAL . 2.3 tm? -69.33 150.4 47.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.682 ' O ' HD13 ' A' ' 8' ' ' LEU . 11.3 p -75.18 169.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -99.57 179.01 1.12 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.01 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.536 1.808 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.29 -15.06 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -99.61 -14.64 18.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -49.37 139.93 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 5.5 mp -86.83 137.58 33.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.01 83.66 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.687 ' H ' HG23 ' A' ' 77' ' ' THR . . . -52.56 171.72 0.44 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.58 178.84 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.741 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -93.49 110.54 22.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -135.48 99.06 12.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.366 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 137.4 21.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.6 mtm -118.06 139.26 26.38 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.68 22.05 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.508 1.794 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -105.08 141.59 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.72 163.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 83.3 m -85.89 -42.41 14.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.468 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -123.88 176.76 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 58.7 t-80 -79.12 168.8 19.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.66 -64.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 191' ' ' HIS . 3.7 t -90.27 -47.7 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.535 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.1 -34.42 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 57.36 15.42 16.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.2 m170 -100.58 169.91 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 0.734 . . . . 0.0 109.612 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.96 121.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -79.06 -52.57 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.3 p -66.15 -53.6 35.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.21 136.08 43.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' THR . 72.1 t -126.55 126.55 24.57 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.463 ' HG2' ' HE3' ' A' ' 42' ' ' MET . 18.6 Cg_endo -74.96 146.13 32.46 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.46 124.32 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.7 -21.87 33.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.487 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 27.9 tpp -81.19 153.34 27.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.48 165.47 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.837 HG12 HG22 ' A' ' 99' ' ' VAL . 5.9 mt -113.56 151.33 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.97 124.96 16.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 28.6 mt -105.17 130.1 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 22.4 m-85 -143.2 139.82 30.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.75 111.43 24.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.592 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 11.7 mmm -128.84 17.08 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 79.91 -124.35 6.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.58 ' O ' HG23 ' A' ' 55' ' ' VAL . 26.6 p -41.89 109.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 34.8 p90 -85.59 -1.54 57.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.667 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.8 m0 -70.51 -60.54 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.46 -43.85 18.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.658 ' HA ' HD23 ' A' ' 58' ' ' LEU . 78.1 t -51.74 -51.27 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 66.6 tt0 -63.28 -34.23 77.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -69.62 -39.88 76.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -64.36 -44.0 92.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.3 m-85 -66.35 -37.33 85.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.07 -38.24 72.46 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -76.22 -0.73 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.4 mt -86.86 134.5 37.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.821 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 115.16 4.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.06 -5.67 10.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -95.44 115.42 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -70.6 -44.26 67.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.1 m -163.14 163.36 25.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.6 p -136.2 162.81 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.837 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -151.94 159.01 43.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.245 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.569 ' HB3' ' NE2' ' A' ' 187' ' ' GLN . . . -113.57 150.13 33.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -172.64 -177.07 41.75 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.472 1.108 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 2.9 p90 -133.09 151.47 52.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 9.5 t -170.62 171.46 6.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.07 -20.65 48.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.89 -172.45 43.97 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -111.08 -29.86 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 17' ' ' GLY . 28.5 m -54.38 123.48 43.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.04 137.28 21.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.4 m120 40.38 63.14 5.56 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 167.13 27.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -124.98 159.02 32.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -50.92 -48.75 60.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -54.61 -30.24 54.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.342 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -46.56 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.674 HG11 ' OE1' ' A' ' 94' ' ' GLU . 39.1 t -61.35 -49.59 83.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.07 -42.07 37.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -50.18 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.667 ' O ' HG12 ' A' ' 9' ' ' VAL . . . 103.7 17.1 17.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.48 30.11 4.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -122.68 -35.49 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.668 ' HA2' HD11 ' A' ' 8' ' ' LEU . . . 81.45 -1.13 86.62 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.572 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.3 m-70 -84.81 144.1 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.726 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -99.51 175.18 5.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.674 ' OE1' HG11 ' A' ' 85' ' ' VAL . 75.1 mm-40 -90.38 118.14 29.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.12 157.24 36.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 69' ' ' ALA . 74.7 t -133.49 129.87 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 1.7 ttt180 -88.54 120.13 29.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.4 mp -114.19 139.14 41.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.837 HG22 HG12 ' A' ' 44' ' ' ILE . 57.4 t -120.98 114.46 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.582 ' CD2' HG23 ' A' ' 105' ' ' ILE . 13.5 p90 -137.49 165.38 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.3 OUTLIER -104.6 138.5 19.53 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.82 20.93 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.2 t -88.49 -19.9 25.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.8 t -104.39 -60.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD2' ' A' ' 100' ' ' TYR . 16.9 tt -121.26 157.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.9 p -113.98 157.7 22.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.0 p90 -61.81 -29.22 70.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 111' ' ' LEU . 1.4 tt0 -64.51 -41.81 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -63.38 -36.24 83.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.48 -39.56 85.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 108' ' ' GLU . 9.2 mt -62.62 -38.55 90.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.88 -44.33 82.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.625 HG11 HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -62.07 -51.78 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -53.66 -34.61 59.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 156' ' ' PHE . 6.7 m0 -65.18 -33.23 75.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 107.963 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.19 8.2 36.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.694 ' CG ' HD22 ' A' ' 58' ' ' LEU . 9.6 m-80 -125.95 8.04 7.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 49' ' ' MET . 0.1 OUTLIER -170.76 169.22 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.595 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.788 ' HB2' HG21 ' A' ' 203' ' ' ILE . 27.5 t70 -123.43 140.72 34.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.6 Cg_endo -74.98 -0.32 9.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.35 50.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.452 ' OE1' ' N ' ' A' ' 136' ' ' SER . 0.0 OUTLIER -77.19 -19.86 56.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.16 -158.14 45.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.636 ' HG3' HG22 ' A' ' 132' ' ' THR . 0.0 OUTLIER -88.18 42.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.569 0.805 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER 179.8 148.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.265 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -137.9 121.27 17.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.51 -115.36 7.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -106.11 6.59 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 8.8 m-20 -111.49 131.02 55.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.5 m-70 -114.02 154.78 27.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.545 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 129.28 162.63 10.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.636 HG22 ' HG3' ' A' ' 124' ' ' MET . 68.7 p -81.9 1.58 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.626 ' NE2' HD23 ' A' ' 8' ' ' LEU . 3.2 mp0 -87.89 5.15 41.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.604 1.19 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 89.2 m-85 -125.1 19.42 8.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -74.99 164.13 26.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.452 ' N ' ' OE1' ' A' ' 122' ' ' GLN . 21.7 t -99.16 105.5 17.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.27 142.41 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.526 HG22 ' HD3' ' A' ' 140' ' ' PRO . 6.1 mt -109.86 132.66 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -124.61 86.06 55.91 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.07 171.16 18.85 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 141' ' ' LEU . 2.0 mm? -115.77 -9.29 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.4 p -124.07 160.68 51.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.81 10.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -74.45 -33.16 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.34 -31.15 62.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -47.22 63.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.85 -37.64 82.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.06 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.73 45.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -63.68 -41.26 98.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -53.91 -36.66 62.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 3.3 p -74.15 -39.42 63.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -57.46 -51.69 68.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 151' ' ' ALA . 7.0 pt-20 -58.49 -33.67 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -77.07 -41.55 41.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.537 ' CD2' ' CE2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -55.12 -44.35 74.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -51.89 -41.21 61.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.204 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.5 -34.29 54.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.09 -56.23 24.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.539 ' HA ' HG11 ' A' ' 205' ' ' VAL . 4.7 ptm -64.51 -34.48 78.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.3 OUTLIER -56.34 -37.58 70.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.31 -27.77 67.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.09 -3.8 44.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 81.95 27.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.43 98.93 11.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.33 -5.95 57.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' CE ' ' A' ' 160' ' ' MET . 26.1 mmm-85 -56.04 159.9 3.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -100.05 129.31 46.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.672 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.435 ' HB ' HG22 ' A' ' 171' ' ' THR . 1.8 pt -67.08 121.58 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.4 t -91.86 4.99 51.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.435 HG22 ' HB ' ' A' ' 169' ' ' ILE . 8.8 t -82.07 150.24 27.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 156.01 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.422 ' CG1' ' HB ' ' A' ' 138' ' ' ILE . 1.7 mp -122.44 132.03 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.88 162.49 37.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -50.5 155.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -70.68 118.24 13.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 23.1 p -88.49 161.26 42.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.33 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.453 1.765 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -80.34 150.15 30.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.067 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 38.8 m-85 -107.71 136.25 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.15 141.21 58.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.99 167.79 12.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 1.5 mt-10 -50.3 146.09 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.417 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 5.6 p-10 -58.08 -35.81 71.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -27.08 31.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 18.2 m-70 -91.06 -32.47 15.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.569 ' NE2' ' HB3' ' A' ' 70' ' ' ALA . 81.7 mm-40 -56.35 129.52 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.237 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.561 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 12.9 mp0 44.32 48.88 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.559 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 6.6 t80 -61.7 -52.36 64.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.615 1.197 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.718 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -48.86 -26.37 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.675 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -72.09 -38.03 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.547 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -67.14 -33.04 74.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.48 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -128.33 108.02 19.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.73 16.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -106.27 16.3 25.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -72.82 -167.48 10.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.718 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.9 m-85 -55.41 118.24 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.8 p -124.14 -170.67 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 87.9 72.29 1.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 4.2 tp -107.49 149.95 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 117' ' ' ASN . . . 72.22 -123.51 9.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 83.81 -11.44 56.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.788 HG21 ' HB2' ' A' ' 119' ' ' ASP . 5.6 tp -130.2 164.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.572 0.807 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 130.63 82.32 0.26 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 160' ' ' MET . 10.8 p -70.39 152.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 0.741 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 2.5 m -117.97 150.36 39.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.312 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.483 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.2 OUTLIER -73.25 -53.28 4.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.2 Cg_endo -75.01 155.75 42.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 160.51 39.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.12 137.01 22.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.96 -44.63 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -139.74 158.75 43.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -127.12 49.16 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 109.381 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.21 30.11 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.97 -10.51 59.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -62.89 137.09 58.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -124.6 169.67 11.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 p -122.16 160.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.558 1.162 . . . . 0.0 109.311 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.74 171.41 5.13 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -42.74 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.29 -13.54 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.32 -36.5 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.88 156.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.02 153.42 94.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -4.27 15.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 54.57 -173.0 0.82 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -138.85 149.22 44.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -66.95 91.13 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.9 m -127.07 99.19 28.93 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 139.22 23.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -110.9 138.15 21.05 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.2 Cg_endo -75.08 147.58 33.83 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.28 141.57 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 157.37 13.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.443 ' O ' HD23 ' A' ' 27' ' ' LEU . 15.7 m -81.99 -36.38 27.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.472 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 26' ' ' THR . 12.2 mt -138.89 151.49 46.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.4 t-80 -54.29 166.85 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.613 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.22 -63.22 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 3.6 t -90.88 -48.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.42 -29.24 65.96 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.32 21.1 4.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -99.55 168.23 10.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 m -73.18 123.23 23.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -41.07 26.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.3 p -69.18 -51.29 39.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.25 129.63 42.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.227 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -124.34 118.42 26.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 149.24 36.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.51 130.98 41.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 102' ' ' PRO . . . 95.55 -24.09 30.93 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 44.4 tpp -71.0 144.16 50.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.78 . . . . 0.0 111.044 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 6.0 tt0 -139.82 159.76 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.848 HG12 HG22 ' A' ' 99' ' ' VAL . 4.4 mt -111.88 154.9 13.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -140.45 125.55 18.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.491 HG22 ' HB2' ' A' ' 139' ' ' TYR . 10.1 mt -93.48 124.7 46.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 29.0 m-85 -136.76 151.7 49.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -134.27 110.38 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -132.35 37.04 3.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 73.03 -129.34 12.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.688 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.0 m -41.17 110.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.725 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.2 p90 -85.73 -10.46 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.725 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 54.3 m0 -62.65 -56.61 16.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.48 -46.92 11.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.2 t -50.67 -58.75 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.49 -35.17 65.27 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.064 . . . . 0.0 110.334 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 52.0 ttt-85 -70.86 -43.85 67.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.7 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -54.12 -55.06 31.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.526 ' CG ' HG12 ' A' ' 98' ' ' ILE . 27.5 m-85 -61.97 -33.89 75.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.61 -40.98 98.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 108.021 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -78.91 -22.25 46.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.938 ' CD1' HG11 ' A' ' 113' ' ' VAL . 14.5 mt -59.14 134.89 87.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 113.51 3.8 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 123.28 -5.36 9.45 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 59' ' ' PHE . 88.0 t -93.76 117.18 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.0 t80 -73.5 -43.04 61.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.165 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 m -171.01 162.06 7.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.7 p -128.96 168.54 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -146.46 152.21 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.885 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -110.31 139.29 45.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -170.08 -171.15 35.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.18 151.04 52.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.507 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.9 t -166.78 164.78 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.375 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.19 -22.72 17.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.07 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.53 -178.9 35.3 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -105.39 -27.18 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.7 m -51.0 118.15 9.84 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.05 13.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.57 1.826 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 8.7 m120 53.18 63.77 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.07 163.68 34.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 85' ' ' VAL . 77.6 p -122.36 154.84 37.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -51.27 -42.46 61.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -48.46 77.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HB3' HG21 ' A' ' 90' ' ' THR . 29.0 mt-10 -56.95 -49.94 74.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.4 t -58.97 -46.08 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -32.98 16.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -50.03 45.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 110.065 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.74 18.72 22.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.575 1.172 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -100.03 16.47 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 84' ' ' GLU . 59.9 p -116.76 -35.02 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.449 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.21 -10.66 72.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 66.7 m-70 -64.77 147.06 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.91 168.06 11.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.8 mt-10 -73.13 119.23 17.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.74 153.21 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.0 m -142.98 141.41 26.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.603 1.189 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.692 ' NE ' HG21 ' A' ' 44' ' ' ILE . 1.5 mtt180 -89.92 130.9 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.526 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.6 mp -116.71 123.83 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.848 HG22 HG12 ' A' ' 44' ' ' ILE . 45.0 t -101.28 114.59 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.459 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 20.1 p90 -131.2 161.3 32.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 137.0 20.05 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 41' ' ' GLY . 18.6 Cg_endo -74.99 -7.72 19.43 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -88.0 -14.46 39.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.4 t -114.99 -62.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 15.3 tt -113.39 165.5 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' ' CG1' ' A' ' 105' ' ' ILE . 98.4 p -114.55 167.32 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.921 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.0 p90 -70.55 -40.56 73.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.833 ' HA ' HD12 ' A' ' 111' ' ' LEU . 6.7 pt-20 -62.29 -34.1 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.1 mt-30 -62.22 -44.71 95.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.94 -48.42 80.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 108' ' ' GLU . 6.0 mt -54.92 -45.87 74.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -61.06 -37.83 84.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.938 HG11 ' CD1' ' A' ' 62' ' ' LEU . 30.9 t -62.53 -39.09 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -61.37 -38.74 88.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.042 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.834 ' CH2' HD11 ' A' ' 138' ' ' ILE . 2.4 m95 -86.33 -22.24 26.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 107.999 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' GLN . 4.7 mt-10 -92.79 0.94 57.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 21.9 t-20 -111.22 -47.72 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.64 ' CE1' ' NE2' ' A' ' 126' ' ' GLN . 3.3 t-160 -142.74 167.14 22.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.96 123.6 68.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.96 1.4 7.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 111.063 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -109.35 50.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.539 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -106.88 -5.66 18.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.483 ' N ' HG21 ' A' ' 170' ' ' THR . . . 63.02 -142.8 48.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 111.053 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 44.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.92 156.88 43.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.64 ' NE2' ' CE1' ' A' ' 118' ' ' HIS . 43.5 tp60 -139.91 110.89 6.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.89 -114.75 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -103.84 16.28 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.757 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.84 144.17 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.229 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -120.02 146.96 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.24 149.99 5.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.138 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.9 m -72.69 -6.1 42.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.773 . . . . 0.0 110.446 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 85' ' ' VAL . 17.7 mp0 -91.68 -3.43 56.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.355 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.469 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 51.6 m-85 -113.95 54.42 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.9 179.33 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.0 m -113.78 121.96 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.964 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.33 145.48 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.834 HD11 ' CH2' ' A' ' 115' ' ' TRP . 85.4 mt -115.28 138.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.491 ' HB2' HG22 ' A' ' 46' ' ' ILE . 31.1 m-85 -132.08 83.48 56.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.532 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.0 166.15 29.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.93 -21.98 11.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.208 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.5 p -108.09 160.8 25.62 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 110.388 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.58 10.76 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -75.68 -36.72 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 54.3 tt0 -65.6 -37.8 87.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.4 OUTLIER -65.08 -50.47 65.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.97 -37.02 75.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.59 1.181 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.5 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -74.2 -34.32 63.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.497 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -67.82 -54.75 16.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -65.98 -30.18 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -71.82 -33.99 68.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 54.2 p -77.49 -25.71 50.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.772 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -67.27 -49.37 64.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.635 ' N ' HD23 ' A' ' 153' ' ' LEU . 12.2 pt-20 -67.61 -36.73 81.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -42.31 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 160' ' ' MET . 10.9 t80 -71.47 -35.63 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -52.18 -44.32 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.36 -34.16 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.426 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -54.09 -56.57 16.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 156' ' ' PHE . 3.2 ptt? -64.52 -37.08 86.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 161' ' ' LEU . 3.6 tp -51.28 -45.88 62.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.11 -24.47 64.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -87.99 7.11 32.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.0 t0 75.04 18.97 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.64 94.08 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.53 19.84 5.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.99 162.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -93.27 129.8 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.545 HD11 ' HD2' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -76.37 113.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.483 HG21 ' N ' ' A' ' 123' ' ' GLY . 16.7 p -94.17 -28.9 15.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 169' ' ' ILE . 0.0 OUTLIER -41.82 132.92 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -134.31 130.46 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.443 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 2.9 mt -106.91 132.06 55.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.53 162.31 39.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -49.1 141.03 8.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -53.5 118.32 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.507 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.7 OUTLIER -82.88 167.08 32.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.5 Cg_endo -74.9 80.27 2.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.568 ' CE1' ' HD2' ' A' ' 97' ' ' ARG . 25.6 p90 -61.13 150.59 33.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.43 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 20.5 m-85 -124.41 120.22 31.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.84 118.7 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -76.24 170.13 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 153.9 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.94 -33.15 74.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -35.55 49.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.86 -45.9 11.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.505 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 6.4 mt-30 -51.15 132.61 28.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.475 ' HG2' ' HB3' ' A' ' 29' ' ' ALA . 11.4 mp0 47.36 47.57 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.62 ' CE1' ' CE3' ' A' ' 53' ' ' TRP . 21.8 t80 -63.99 -51.24 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -49.81 -24.8 2.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.29 -39.55 47.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -37.5 79.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.6 94.43 48.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.17 20.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -100.03 -4.32 30.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -58.78 -157.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.562 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -86.89 130.35 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 12.7 p -139.81 32.42 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 108.296 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -110.43 94.42 0.79 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.581 1.176 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.47 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -72.18 146.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.348 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -47.33 -95.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 155.84 142.03 3.33 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.516 HG23 ' N ' ' A' ' 204' ' ' GLY . 0.0 OUTLIER -123.46 -56.04 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.446 0.733 . . . . 0.0 109.26 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.516 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 32.32 81.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.483 1.115 . . . . 0.0 111.08 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 203' ' ' ILE . 1.2 t -140.5 136.63 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 0.729 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 4.7 m -53.57 98.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 108.285 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.2 OUTLIER -52.59 -46.47 95.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.2 Cg_endo -74.98 143.87 29.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.4 Cg_endo -74.95 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.566 1.824 . . . . 0.0 111.025 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 149.35 47.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.419 ' HA ' ' CG ' ' A' ' 130' ' ' HIS . 77.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -41.63 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.44 158.31 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.401 1.063 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -93.11 56.24 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -87.29 26.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -40.65 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 112.98 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 tp -80.56 137.55 36.41 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.6 162.6 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -99.89 173.83 3.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.967 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.1 Cg_endo -75.07 -43.85 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.86 -29.98 61.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.53 -32.47 42.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 10' ' ' SER . . . -50.63 146.07 6.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 89' ' ' ASP . 20.6 mt -62.63 155.66 68.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 179.36 49.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.52 158.11 25.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -85.11 79.29 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.94 104.39 3.2 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 135.54 19.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.42 1.747 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.7 mmt -87.27 124.49 68.17 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.46 27.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.7 t -118.64 152.73 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.79 158.18 18.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 27' ' ' LEU . 35.4 m -81.28 -38.02 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 26' ' ' THR . 16.3 mt -132.3 154.31 49.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.0 t-80 -57.65 171.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.657 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.863 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -71.75 -64.59 0.9 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.4 t -91.66 -52.13 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.571 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 54.9 m-80 -57.65 -25.87 60.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 40.32 28.85 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' ASN . 48.3 m170 -100.43 159.68 14.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 0.744 . . . . 0.0 109.571 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.2 m -44.68 119.46 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -48.39 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.4 p -89.24 -51.46 5.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.73 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 44' ' ' ILE . 56.9 t -118.88 124.53 28.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 149.92 37.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -58.22 126.41 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.25 -9.23 49.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.495 ' HB3' HG13 ' A' ' 38' ' ' VAL . 27.9 tpp -95.98 146.76 24.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 111.057 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -132.43 164.85 25.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.833 HG12 HG22 ' A' ' 99' ' ' VAL . 4.6 mt -115.51 155.56 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.796 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -141.95 128.06 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.205 HG21 ' CE1' ' A' ' 179' ' ' PHE . 3.8 mp -113.44 132.23 62.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.796 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -149.45 146.64 27.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.53 122.93 47.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.482 ' HE3' ' HA ' ' A' ' 114' ' ' PHE . 3.2 mtp -142.19 46.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 126' ' ' GLN . . . 63.99 -131.89 39.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -42.55 111.4 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 1.8 p90 -83.62 -8.94 59.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.634 ' CE2' ' CD2' ' A' ' 189' ' ' TYR . 37.3 m0 -70.3 -54.16 13.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.01 -37.15 44.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 51' ' ' CYS . 93.3 t -65.26 -57.2 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt0 -55.08 -30.32 59.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.625 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.8 ttt180 -59.6 -55.08 38.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.022 HD11 HG13 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.258 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CD1' HG12 ' A' ' 98' ' ' ILE . 3.2 m-85 -66.3 -52.19 49.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.626 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -67.41 -39.93 85.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.554 1.159 . . . . 0.0 108.054 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -76.12 0.08 20.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.85 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -77.0 129.64 77.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.635 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.99 108.62 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.05 -3.24 6.84 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 68' ' ' THR . 2.8 t -98.89 123.54 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -71.57 -44.53 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 m -165.32 161.69 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 98' ' ' ILE . 80.6 p -134.44 167.31 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -158.29 149.28 20.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.557 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -103.85 145.75 29.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.03 -172.45 31.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -127.16 153.17 46.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 179' ' ' PHE . 10.9 t -170.56 173.94 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.16 -8.22 72.68 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.21 -173.17 19.16 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -110.2 -31.38 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 0.784 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.4 m -51.46 117.72 9.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 138.14 22.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 0.8 OUTLIER 46.82 64.15 8.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.232 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.06 161.25 38.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.767 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 t -125.07 163.86 21.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -57.23 -41.77 80.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -54.14 50.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 81' ' ' THR . 69.2 mt-10 -61.84 -49.29 76.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 81' ' ' THR . 93.9 t -53.7 -49.39 57.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.5 t -51.49 -39.12 56.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -49.77 59.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.46 20.5 10.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.504 ' HB2' HD12 ' A' ' 15' ' ' LEU . 25.0 m-20 -99.43 19.6 15.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 20.3 p -115.35 -32.07 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.95 2.79 87.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.436 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 89.5 m-70 -91.63 146.49 23.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.83 174.96 5.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -81.0 115.51 20.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.34 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 69' ' ' ALA . 18.9 t -150.07 134.98 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.069 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.57 120.67 36.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.364 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.569 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.2 mp -115.26 133.6 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.833 HG22 HG12 ' A' ' 44' ' ' ILE . 95.6 t -111.47 114.26 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -131.3 164.69 25.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.98 138.79 22.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -74.92 -3.03 13.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -19.21 26.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.062 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG11 ' HA2' ' A' ' 64' ' ' GLY . 66.8 t -108.22 -61.51 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.5 tt -113.41 168.44 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.9 p -124.68 153.1 42.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 5.2 p90 -57.25 -27.5 62.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.395 1.059 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 24.7 tt0 -66.57 -40.67 89.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.87 -45.5 85.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 21.9 mt -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 57.1 mt -57.09 -43.06 81.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.577 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 11.8 tt0 -61.14 -36.06 78.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.022 HG13 HD11 ' A' ' 58' ' ' LEU . 2.3 t -64.27 -44.47 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 111' ' ' LEU . 7.0 m-30 -49.85 -52.09 35.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -67.39 -35.46 79.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 108.018 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.19 3.56 20.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.511 ' CG ' HD12 ' A' ' 200' ' ' ILE . 36.9 t-20 -112.89 -44.69 3.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.469 ' NE2' ' NE2' ' A' ' 126' ' ' GLN . 6.1 m-70 -165.09 169.99 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.8 144.28 27.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.44 8.91 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -115.52 50.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' CD ' ' C ' ' A' ' 122' ' ' GLN . 0.7 OUTLIER -100.01 20.27 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.562 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 48.63 -134.71 20.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.71 61.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 0.788 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.95 160.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.469 ' NE2' ' NE2' ' A' ' 118' ' ' HIS . 1.0 OUTLIER -145.68 132.21 19.79 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.581 1.175 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.39 -130.41 44.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -91.78 12.77 20.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.1 m-20 -106.92 130.87 54.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' CG ' ' HA ' ' A' ' 1' ' ' SER . 42.1 m80 -119.77 144.8 47.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.58 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.27 158.52 8.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 132' ' ' THR . 5.7 m -78.34 -1.06 31.42 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.471 0.747 . . . . 0.0 110.368 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -94.79 -11.05 29.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 26.0 m-85 -104.07 52.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.597 1.186 . . . . 0.0 111.079 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -94.47 -175.25 3.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.8 t -117.33 125.59 51.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -156.25 150.51 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.741 HG23 ' CE1' ' A' ' 47' ' ' PHE . 25.9 mt -125.01 130.58 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -121.26 84.7 41.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.456 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -74.99 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.816 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 176' ' ' ALA . 3.7 mm? -119.32 -36.06 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.428 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 58.9 p -91.63 161.52 33.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -27.35 10.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -75.16 -32.74 61.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -72.0 -39.1 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 142' ' ' THR . 2.7 m-20 -59.34 -50.09 75.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.05 81.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -62.7 -44.04 97.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 111' ' ' LEU . . . -58.05 -54.11 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.241 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -63.15 -37.05 85.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.51 55.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 13.0 p -77.99 -33.33 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.049 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.9 tt -57.67 -51.14 70.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.54 -34.03 77.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -69.05 -42.59 76.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -63.1 -42.25 99.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -52.45 -37.76 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.15 -43.42 21.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.372 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.85 -53.42 56.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.36 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 167' ' ' ARG . 17.5 mtp -58.05 -48.44 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 165' ' ' ASP . 2.1 mp -56.78 -39.38 73.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.63 64.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -91.77 9.0 34.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.22 24.2 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.6 OUTLIER -106.31 104.69 14.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -88.76 15.13 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.602 1.189 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.424 ' HB3' ' HE3' ' A' ' 160' ' ' MET . 3.7 tpt180 -50.55 145.81 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -91.97 121.38 33.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.072 . . . . 0.0 109.599 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.487 ' CG2' HG22 ' A' ' 171' ' ' THR . 63.7 mt -63.13 130.01 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.562 HG21 ' HA2' ' A' ' 123' ' ' GLY . 73.8 p -116.57 14.94 15.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.487 HG22 ' CG2' ' A' ' 169' ' ' ILE . 2.6 t -86.88 146.63 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.85 142.45 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.91 127.96 73.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.9 161.78 39.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.236 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -49.85 161.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 141' ' ' LEU . . . -78.88 127.44 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.524 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 7.1 p -100.3 171.26 5.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -75.01 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 1.205 ' CE1' HG21 ' A' ' 46' ' ' ILE . 4.1 m-85 -69.0 148.9 49.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -109.7 125.95 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.22 136.59 58.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -89.93 169.27 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.72 135.41 29.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.3 -30.04 66.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -36.81 70.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -85.61 -48.57 8.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.557 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 33.8 mt-30 -50.13 130.84 23.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 1.3 mp0 65.07 39.32 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.352 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.634 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 11.7 t80 -59.93 -57.26 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.25 -23.89 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.863 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.78 -46.28 38.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.61 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -56.78 -37.69 71.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -135.43 104.4 10.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.65 21.34 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.51 1.795 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -103.33 8.13 38.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -57.81 -155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.518 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 0.0 OUTLIER -100.22 119.93 39.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.763 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.3 p -113.83 -169.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 179.05 -38.0 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 117' ' ' ASN . 16.4 tt -50.52 149.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 106.27 34.42 3.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.81 -79.53 0.14 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 170.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 128.71 68.0 0.12 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.424 1.078 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 17.8 t -69.64 130.6 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.96 177.38 4.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.45 160.1 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 166.83 28.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.586 1.835 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.43 24.85 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.28 149.78 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.227 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -79.51 -28.88 41.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -68.94 157.29 36.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.07 148.87 36.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -7.81 49.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -86.45 9.63 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -60.2 139.81 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.6 pt? -50.02 166.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 9.3 p -41.51 151.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.14 171.75 10.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -37.52 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.807 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.08 -26.84 60.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.13 -36.17 27.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.01 145.87 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.363 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.94 155.07 92.66 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -2.58 12.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.808 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.0 -165.68 14.78 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.962 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -127.38 176.09 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 0.794 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -96.45 70.97 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.7 p -121.61 99.41 45.05 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 143.84 29.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.5 mmt -94.28 138.07 22.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.68 29.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -133.96 149.06 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.99 166.31 13.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.8 m -77.5 -45.08 26.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.8 mt -115.38 157.34 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.8 t-80 -66.11 170.93 5.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 191' ' ' HIS . . . -72.8 -63.41 1.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.714 HG22 ' ND1' ' A' ' 191' ' ' HIS . 5.5 t -91.34 -52.55 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.57 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 38.1 m-80 -56.94 -28.79 62.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 50.23 20.87 3.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.416 1.073 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.6 m170 -100.37 170.22 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 0.729 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -60.99 119.95 9.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.11 -55.03 5.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 p -76.29 -42.86 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.74 129.71 37.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.053 HG21 HD11 ' A' ' 44' ' ' ILE . 58.6 t -120.82 121.51 28.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 42' ' ' MET . 18.4 Cg_endo -75.01 140.37 25.35 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.44 141.75 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.93 -32.43 5.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -114.46 158.45 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.958 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.488 ' OE1' HG21 ' A' ' 142' ' ' THR . 4.9 pt-20 -126.85 174.71 8.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.053 HD11 HG21 ' A' ' 38' ' ' VAL . 6.5 mt -105.25 148.57 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -133.57 126.99 32.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.156 HG21 ' CE2' ' A' ' 179' ' ' PHE . 3.7 mp -109.71 136.66 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.638 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 23.8 m-85 -147.61 144.17 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -114.85 120.71 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB3' HG21 ' A' ' 55' ' ' VAL . 1.4 ttm -138.13 11.12 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 94.48 -128.34 9.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 55' ' ' VAL . 20.3 p -41.86 110.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 31.0 p90 -85.94 -2.29 58.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.747 ' HB3' HD23 ' A' ' 190' ' ' LEU . 40.0 m0 -70.2 -60.56 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.96 -44.42 14.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 51' ' ' CYS . 77.3 t -52.68 -57.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 6.1 tt0 -60.79 -33.71 73.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -69.53 -38.21 77.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.47 -33.09 48.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.373 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -66.03 -53.7 35.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.765 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -68.01 -14.82 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 107.998 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -78.81 0.31 27.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -87.53 141.53 32.3 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 108.07 2.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.82 -2.78 6.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.765 HG11 ' HA ' ' A' ' 60' ' ' TRP . 49.5 t -85.25 111.71 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.459 ' CE1' ' HE2' ' A' ' 42' ' ' MET . 1.4 t80 -70.5 -43.64 69.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.13 165.03 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.494 ' CG2' HG11 ' A' ' 65' ' ' VAL . 67.9 p -149.35 143.55 25.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -139.78 160.3 40.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.72 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -112.85 140.76 47.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -158.86 -168.68 21.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -131.62 151.18 51.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 179' ' ' PHE . 10.0 t -167.44 168.96 12.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.2 -20.83 30.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 92' ' ' HIS . . . -106.86 179.35 22.48 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -99.64 -26.49 14.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 0.758 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.422 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 46.1 m -50.99 114.09 4.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.414 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 130.5 13.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 180' ' ' TYR . 25.1 m-20 48.83 64.15 9.16 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.98 166.51 29.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.553 1.818 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.444 HG23 ' OE1' ' A' ' 84' ' ' GLU . 30.9 p -117.79 156.64 27.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 82' ' ' TYR . 5.6 t80 -51.14 -39.32 56.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -52.7 39.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.172 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' OE1' HG23 ' A' ' 81' ' ' THR . 67.6 mt-10 -56.47 -47.77 78.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.597 HG12 ' OE1' ' A' ' 133' ' ' GLN . 78.1 t -63.64 -44.47 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.28 -30.99 41.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -50.15 44.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 105.89 7.2 36.44 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.81 17.69 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.6 p -110.91 -25.71 9.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.41 0.36 66.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 75' ' ' GLY . 87.7 m-70 -87.38 155.36 20.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.668 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.07 173.3 8.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.486 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 2.0 tm-20 -75.8 117.99 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.01 158.88 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.72 HG12 ' HA ' ' A' ' 70' ' ' ALA . 2.0 m -142.13 153.59 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.602 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -101.75 137.35 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 97' ' ' ARG . 5.2 mp -133.42 116.45 25.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.29 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.676 HG22 HG12 ' A' ' 44' ' ' ILE . 3.4 t -98.99 119.18 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -137.01 165.32 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.69 135.29 20.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -75.03 -9.43 20.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.1 t -89.71 -18.12 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.4 t -108.27 -56.46 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 18.3 tt -117.16 163.1 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -115.11 153.54 30.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 11.3 p90 -61.93 -27.35 68.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.543 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.8 tm-20 -65.74 -37.78 87.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.9 -39.54 87.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 100' ' ' TYR . 45.8 mt -62.85 -43.89 97.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.529 ' O ' ' CE2' ' A' ' 115' ' ' TRP . 5.0 mt -72.87 -33.24 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -60.59 -40.58 92.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.29 -35.37 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -55.39 -49.8 71.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.761 ' O ' HG21 ' A' ' 203' ' ' ILE . 0.0 OUTLIER -74.68 -23.46 58.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 107.977 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -92.19 5.73 49.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.709 ' ND2' HD13 ' A' ' 58' ' ' LEU . 11.6 t-20 -116.15 -34.83 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.556 ' HA ' HG22 ' A' ' 203' ' ' ILE . 75.2 t60 -170.11 168.52 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 109.619 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.33 140.63 22.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.577 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -75.04 0.65 8.67 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -104.22 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.52 -14.98 33.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.78 -143.97 44.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 15.4 mtt -86.59 46.05 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.407 0.71 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 143.59 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -130.07 150.93 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 110.232 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.93 -128.34 25.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -103.75 15.67 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 134' ' ' TYR . 1.2 p30 -113.94 145.22 41.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.9 p80 -119.97 150.19 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.562 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.82 157.21 7.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 132' ' ' THR . 5.6 m -78.8 0.13 28.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.597 ' OE1' HG12 ' A' ' 85' ' ' VAL . 10.7 tt0 -95.05 -22.83 17.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 129' ' ' ASP . 29.9 m-85 -91.28 43.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.9 mmt85 -88.65 -177.69 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.72 136.95 54.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.41 144.82 5.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 111' ' ' LEU . 22.4 mt -117.44 124.34 72.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -115.02 87.75 15.96 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 162.04 37.97 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.544 HD12 ' CB ' ' A' ' 176' ' ' ALA . 1.7 mp -110.84 -24.81 10.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.488 HG21 ' OE1' ' A' ' 43' ' ' GLU . 8.3 p -109.83 162.37 20.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -25.87 11.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.9 -32.58 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 149' ' ' ALA . 53.8 tt0 -74.49 -32.0 62.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -51.41 44.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.1 89.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.69 -41.05 65.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 145' ' ' GLN . . . -57.89 -52.99 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -32.7 74.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.67 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.8 p -78.61 -32.03 47.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.629 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.7 tt -64.13 -52.13 60.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.06 78.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -66.81 -43.6 83.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.577 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 8.6 t80 -61.73 -38.18 86.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -51.67 -40.56 60.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.98 32.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -62.24 -56.79 15.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -56.13 -36.06 67.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -58.67 -39.95 82.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.91 67.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -81.99 1.21 36.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.17 31.69 5.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.43 118.86 37.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.63 16.4 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 121' ' ' ALA . 8.1 mmt180 -89.77 87.96 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.364 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.428 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 31.8 t60 -59.71 129.06 40.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.658 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.642 ' HA ' ' HB2' ' A' ' 121' ' ' ALA . 0.3 OUTLIER -52.29 134.18 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -105.91 -18.76 13.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.429 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 120' ' ' PRO . 12.4 t -45.35 131.97 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 129.74 53.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.3 133.32 40.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.59 155.27 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.262 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -40.06 146.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 141' ' ' LEU . . . -64.12 117.95 7.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.618 ' O ' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -89.69 169.13 13.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.4 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.555 1.818 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 1.156 ' CE2' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -84.68 138.75 32.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 79' ' ' ASN . 0.9 OUTLIER -104.43 130.73 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.436 ' OH ' ' NH2' ' A' ' 97' ' ' ARG . 58.6 m-85 -60.89 135.87 57.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.87 170.01 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.17 156.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -40.97 96.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -38.77 40.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 72.4 m-70 -79.09 -46.67 17.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 0.0 109.651 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.8 117.38 2.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 50.27 58.05 5.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.562 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.5 t80 -74.25 -35.47 63.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -68.66 -13.82 62.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.714 ' ND1' HG22 ' A' ' 30' ' ' VAL . 19.0 t60 -82.62 -37.44 24.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -24.97 61.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -138.27 113.41 8.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -23.93 13.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -108.49 14.84 24.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.38 -154.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.46 ' O ' HD21 ' A' ' 190' ' ' LEU . 0.8 OUTLIER -73.17 111.48 8.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 0.728 . . . . 0.0 110.995 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.27 163.35 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 177.14 -41.2 0.1 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.488 HD11 ' OD1' ' A' ' 117' ' ' ASN . 15.8 tt -56.39 148.79 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 0.763 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 144.77 53.78 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.535 1.147 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.18 139.45 2.71 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 203' ' ' ILE . 0.2 OUTLIER -128.69 -44.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 203' ' ' ILE . . . 64.02 58.13 11.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 207' ' ' LEU . 73.1 t -137.5 151.22 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 0.697 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 86.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 208' ' ' PRO . 0.7 OUTLIER -80.32 -58.5 0.57 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -74.95 162.92 36.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.4 1.737 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 127.44 10.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -57.92 140.92 51.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.223 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tp -109.96 15.03 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -87.07 116.65 25.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -139.97 87.54 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -87.3 30.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.2 10.1 30.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 132' ' ' THR . 16.3 m80 -67.84 -54.32 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.536 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tp -81.9 161.09 23.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 p -132.62 158.03 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.89 167.15 13.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.169 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HB3' ' CE1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.07 -43.06 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.73 -15.49 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.66 -35.4 11.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.7 151.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD12 ' NH1' ' A' ' 18' ' ' ARG . 1.1 mm? -56.49 109.35 1.62 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.069 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 71.89 4.84 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.544 1.812 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.35 166.16 29.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.553 ' NH1' HD12 ' A' ' 15' ' ' LEU . 1.1 tpt180 -169.42 173.07 6.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 0.767 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -49.31 172.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.814 HG23 ' HD2' ' A' ' 21' ' ' PRO . 1.7 m -67.2 148.24 98.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.814 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.5 Cg_endo -74.99 151.12 39.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.465 ' N ' ' SD ' ' A' ' 22' ' ' MET . 2.5 mpp? -61.79 152.4 76.02 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.593 1.183 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 159.67 40.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.563 1.823 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -101.86 150.76 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.41 166.95 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 ' HG ' ' A' ' 27' ' ' LEU . 4.0 m -77.65 -45.06 26.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.738 ' HG ' HG22 ' A' ' 26' ' ' THR . 4.7 mt -135.97 165.24 26.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.546 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -55.29 167.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HB2' ' HG3' ' A' ' 188' ' ' GLN . . . -71.67 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 10.4 t -90.69 -47.6 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.546 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -58.74 -29.62 66.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 48.68 22.02 2.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t60 -100.53 170.11 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 0.716 . . . . 0.0 109.58 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -49.35 125.84 11.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.448 ' O ' ' NH1' ' A' ' 97' ' ' ARG . 2.2 mmt -79.38 -48.83 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 p -92.97 -49.7 5.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -53.32 126.63 21.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.46 HG21 HD11 ' A' ' 44' ' ' ILE . 8.6 t -120.47 125.18 27.3 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.82 38.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.445 1.761 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -58.94 137.41 57.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.3 6.58 58.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.501 1.125 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.405 ' HB2' HG13 ' A' ' 38' ' ' VAL . 22.8 mmt -111.83 169.43 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -149.87 162.73 39.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG12 HG22 ' A' ' 99' ' ' VAL . 10.5 mt -119.24 151.01 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.85 124.14 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.443 HG23 ' HB1' ' A' ' 95' ' ' ALA . 2.3 mp -90.04 126.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' HD2' HD13 ' A' ' 98' ' ' ILE . 2.0 m-85 -131.37 140.49 49.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -127.34 109.49 11.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 6.1 mtp -135.53 32.27 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.18 -129.69 9.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -43.42 108.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 35.0 p90 -82.46 -3.18 55.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.626 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 45.8 m0 -71.15 -51.82 22.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 107.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.1 -30.7 54.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 51' ' ' CYS . 44.4 t -69.86 -57.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 16.6 pt-20 -51.92 -48.14 64.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -71.39 -26.42 62.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.736 HD13 ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -68.92 -37.85 79.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 98' ' ' ILE . 18.0 m-85 -84.19 -35.0 23.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -51.57 67.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.971 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -65.23 -17.64 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.076 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -68.62 137.94 90.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.733 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.95 119.67 5.76 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.527 1.804 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.84 -11.86 10.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 68' ' ' THR . 71.0 t -95.08 114.08 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 0.74 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -68.9 -39.54 79.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -169.19 164.44 11.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 33.9 p -140.22 154.63 46.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.714 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -142.52 146.88 35.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -98.47 149.97 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.5 -173.01 36.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 180' ' ' TYR . 1.3 p90 -136.83 146.77 46.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.408 ' HA ' ' ND1' ' A' ' 92' ' ' HIS . 11.3 t -168.79 163.06 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.363 1.039 . . . . 0.0 110.447 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.19 -17.48 19.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.598 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.1 -157.87 33.47 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 11' ' ' PRO . 54.7 m-85 -119.48 -33.87 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 42.2 m -55.43 130.05 69.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -74.96 123.34 7.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.548 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 0.4 OUTLIER 39.76 65.27 3.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.13 169.06 23.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 85' ' ' VAL . 25.7 m -91.85 163.03 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -69.51 -32.73 71.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -63.59 -39.19 93.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.402 1.064 . . . . 0.0 110.25 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 20.4 mt-10 -69.32 -45.36 69.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 81' ' ' THR . 88.7 t -54.58 -50.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.0 t -50.93 -41.97 59.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 108.259 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 t -63.97 -48.46 76.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.073 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.2 29.49 7.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -13.81 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 5.1 p -94.69 -33.67 12.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.44 -15.67 60.8 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.598 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 68.8 m-70 -57.75 140.9 50.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.62 153.05 22.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.96 114.49 8.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB1' HG23 ' A' ' 46' ' ' ILE . . . -125.14 168.31 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 69' ' ' ALA . 43.8 t -147.72 133.56 12.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.496 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 1.2 ttm180 -84.9 122.36 29.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.2 mp -108.36 127.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.546 HG22 HG12 ' A' ' 44' ' ' ILE . 46.0 t -112.11 120.94 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.66 ' CZ ' ' CD1' ' A' ' 110' ' ' LEU . 10.7 p90 -149.89 166.21 30.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -107.38 136.81 19.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.7 Cg_endo -74.99 1.06 8.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -18.63 25.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.5 t -113.36 -60.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 16.4 tt -105.08 162.39 4.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 p -125.27 161.95 25.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 145' ' ' GLN . 26.9 m-85 -55.31 -39.29 69.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.32 -42.54 95.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -61.98 -35.06 77.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.66 ' CD1' ' CZ ' ' A' ' 100' ' ' TYR . 34.5 mt -75.32 -34.66 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.455 ' O ' ' NE1' ' A' ' 115' ' ' TRP . 35.2 mt -75.45 -42.72 52.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 115' ' ' TRP . 2.7 pt20 -55.77 -40.61 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -70.9 -36.23 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.795 ' CE2' HD11 ' A' ' 138' ' ' ILE . 6.2 t80 -45.78 -52.44 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -76.51 -33.57 58.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.011 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -7.19 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.736 ' ND2' HD13 ' A' ' 58' ' ' LEU . 13.0 t-20 -117.99 -50.34 2.49 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 16.4 t60 -144.0 130.27 19.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 18.4 p-10 -74.26 142.96 79.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 156' ' ' PHE . 18.1 Cg_endo -75.05 0.15 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -122.04 47.95 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.234 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.45 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 1.2 tt0 -95.54 -18.14 20.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.467 ' H ' HG21 ' A' ' 170' ' ' THR . . . 86.26 -171.44 44.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 mtp -74.6 59.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 0.72 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 160.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.71 124.61 24.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.01 -116.14 4.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -97.42 2.94 50.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.93 116.79 30.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.33 144.56 34.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 152.49 164.86 12.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 7' ' ' HIS . 30.3 p -83.0 -3.66 57.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -97.63 -7.77 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -109.3 39.57 2.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -100.01 164.53 11.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 110.213 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 59.9 p -88.51 136.87 32.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -161.0 135.02 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.795 HD11 ' CE2' ' A' ' 114' ' ' PHE . 13.8 mt -112.76 120.66 63.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.438 ' HB2' HG22 ' A' ' 46' ' ' ILE . 8.9 m-85 -116.55 85.08 15.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.46 41.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -26.58 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.42 HG21 ' OH ' ' A' ' 107' ' ' TYR . 74.3 p -103.6 161.01 24.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.28 10.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.489 1.784 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -75.0 -32.32 61.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.573 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 45.9 tt0 -70.03 -44.9 68.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -48.38 76.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.66 97.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.09 87.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.69 -54.07 51.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -61.45 -39.61 91.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.67 -47.11 70.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -63.34 -42.42 98.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.695 HD12 ' CG2' ' A' ' 171' ' ' THR . 9.9 tt -61.2 -52.22 65.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.216 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.85 -34.55 71.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -40.28 50.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' A' ' 120' ' ' PRO . 88.2 t80 -59.91 -42.4 93.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.48 ' O ' HD13 ' A' ' 161' ' ' LEU . 5.5 tt0 -51.68 -39.5 58.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.28 -33.88 37.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.97 -56.65 16.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.451 ' SD ' HD13 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -60.28 -33.88 72.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 111.046 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 157' ' ' GLN . 1.6 mp -63.42 -43.0 98.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 208' ' ' PRO . . . -65.3 -18.74 65.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.11 -2.67 58.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 10.2 t0 79.09 25.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 161' ' ' LEU . 41.2 m-20 -109.72 108.71 19.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.98 16.58 8.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 132.87 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -82.98 126.37 32.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 171' ' ' THR . 2.7 mt -67.4 129.01 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 109.235 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.467 HG21 ' H ' ' A' ' 123' ' ' GLY . 15.0 t -104.91 -29.52 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.695 ' CG2' HD12 ' A' ' 153' ' ' LEU . 2.1 t -41.72 133.26 2.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.399 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.6 133.34 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 37.1 mt -107.54 118.0 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.27 156.76 45.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.95 141.39 28.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -49.45 125.18 10.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.3 p -95.95 164.05 19.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 73.92 4.15 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.583 1.833 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 31.9 p90 -73.54 149.95 41.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 8.8 m-85 -112.38 138.79 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.496 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 5.4 m-85 -62.88 143.07 57.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -85.03 170.05 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.44 157.57 3.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -42.37 97.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.45 -37.37 37.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -87.86 -32.63 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.597 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.433 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -62.94 127.43 31.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.634 ' HG3' ' HB2' ' A' ' 29' ' ' ALA . 0.5 OUTLIER 54.34 41.29 32.06 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 20.4 t80 -62.74 -59.87 4.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.581 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -50.92 -23.05 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.458 ' CD2' ' HB3' ' A' ' 57' ' ' ARG . 11.8 m170 -76.7 -47.07 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -59.64 -37.35 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.13 106.03 19.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -11.11 21.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -102.87 12.47 36.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -69.83 -168.39 6.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.581 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.5 m-85 -55.33 115.6 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.7 p -140.41 167.23 22.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 147.01 -44.53 0.81 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.2 tt -50.05 149.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 119.15 34.81 0.99 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.83 16.05 1.98 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.942 HD13 ' N ' ' A' ' 204' ' ' GLY . 0.2 OUTLIER -130.41 145.34 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.525 0.78 . . . . 0.0 109.272 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.942 ' N ' HD13 ' A' ' 203' ' ' ILE . . . 130.32 85.71 0.39 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.3 p -69.66 152.14 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.5 m -104.16 156.36 17.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 108.387 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.04 153.74 82.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 162' ' ' ALA . 18.3 Cg_endo -75.03 164.11 33.94 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.559 1.82 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 126.89 10.32 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -70.65 -39.92 73.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.32 -44.75 4.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -139.78 148.13 41.78 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.45 -2.65 9.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' SER . 2.0 mtpp -87.23 29.9 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mppt? -80.98 4.85 18.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -59.32 141.0 55.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 109.586 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 tp -48.78 158.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 10' ' ' SER . 14.9 p -138.89 169.09 18.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.513 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -92.01 171.72 7.38 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.0 -40.79 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.77 -21.36 60.2 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -35.23 20.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -51.76 149.64 4.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.2 Cg_endo -74.99 55.34 3.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.058 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.466 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 52.14 174.51 0.03 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -143.14 166.05 25.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -100.89 77.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -142.48 99.4 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.1 18.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.408 ' SD ' ' CE1' ' A' ' 180' ' ' TYR . 0.1 OUTLIER -120.27 116.53 32.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 160.06 40.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 37.1 t -127.4 159.89 37.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 24' ' ' VAL . . . -67.58 157.66 33.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 m -77.97 -44.89 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.29 158.17 25.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 68' ' ' THR . 58.7 t-80 -58.97 170.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.548 ' HB2' ' CD ' ' A' ' 188' ' ' GLN . . . -73.02 -65.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 14.2 t -91.22 -53.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.549 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 71.9 m-80 -56.7 -27.0 58.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 45.7 22.93 0.82 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -100.36 170.37 8.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.641 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.55 119.03 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 mtp -81.71 -54.13 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -78.93 -56.08 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -61.28 128.21 35.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 44' ' ' ILE . 2.6 t -107.7 137.53 19.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' HG3' ' CD2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.04 143.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.806 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.83 127.56 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.63 51.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -93.85 165.28 12.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -142.17 162.99 34.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG22 ' A' ' 99' ' ' VAL . 5.5 mt -112.77 151.89 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.552 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -136.65 124.79 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' A' ' 139' ' ' TYR . 14.4 mt -97.86 125.59 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -138.48 146.86 42.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.91 113.67 14.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 1.0 OUTLIER -130.08 12.43 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 95.67 -127.16 9.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -41.5 109.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 32.8 p90 -86.64 -1.82 58.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.601 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 50.0 m0 -70.12 -61.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.71 -43.22 15.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 55.7 t -52.44 -57.25 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' HB2' HG11 ' A' ' 96' ' ' VAL . 4.4 tt0 -64.45 -33.28 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 tmt_? -64.55 -38.12 89.92 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.491 HD22 ' OD1' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -81.06 -40.68 23.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.83 -56.76 17.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -63.5 -15.75 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 2.6 mm-40 -85.81 -10.24 55.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 113' ' ' VAL . 82.4 mt -69.66 139.01 88.52 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.79 2.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.557 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 128.65 -2.98 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG11 ' HA ' ' A' ' 60' ' ' TRP . 3.3 t -92.71 114.43 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.45 -45.98 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 111.045 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -149.23 155.8 41.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.553 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 4.4 m -150.91 141.49 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 110.446 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 97' ' ' ARG . . . -139.49 159.74 41.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -109.22 148.36 31.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.304 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.08 -158.7 11.67 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' O ' ' A' ' 80' ' ' PRO . 0.8 OUTLIER -146.65 150.88 36.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 111.005 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -170.63 167.22 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.92 -16.45 15.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -89.89 -169.82 43.86 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.523 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 98.4 m-85 -110.07 -32.74 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.5 m -53.38 125.52 43.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.466 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.6 Cg_endo -74.95 142.56 28.16 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 1.3 m120 43.69 62.58 9.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' CE1' ' A' ' 72' ' ' TYR . 18.2 Cg_endo -75.01 158.9 41.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 85' ' ' VAL . 21.9 m -125.08 150.03 47.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 t80 -55.49 -29.93 59.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.113 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -62.12 -57.51 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' OE2' HG22 ' A' ' 90' ' ' THR . 6.5 pt-20 -66.26 -37.61 85.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 81' ' ' THR . 32.2 t -50.0 -49.58 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -29.04 26.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.238 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -69.78 -28.26 65.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.88 13.51 83.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.584 1.177 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 17.6 m-20 -100.13 25.02 7.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.542 HG22 ' OE2' ' A' ' 84' ' ' GLU . 5.4 p -120.28 -35.69 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.439 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.02 -8.46 78.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 66.9 m-70 -80.12 147.78 31.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -115.03 175.47 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.88 115.53 21.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.21 168.47 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -142.76 131.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 0.9 OUTLIER -91.04 125.29 35.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 59' ' ' PHE . 2.7 mp -116.38 133.7 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.916 HG22 HG12 ' A' ' 44' ' ' ILE . 18.6 t -116.21 115.02 47.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.552 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 31.1 p90 -136.13 164.97 26.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -103.02 139.48 20.15 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -9.98 20.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -90.12 -24.21 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG11 ' HA2' ' A' ' 64' ' ' GLY . 48.2 t -97.47 -59.54 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.5 HG23 ' CD2' ' A' ' 100' ' ' TYR . 18.4 tt -119.45 163.61 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.1 p -116.41 159.12 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.6 p90 -62.63 -30.28 71.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.631 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -63.59 -40.79 97.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.24 -33.38 75.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 62' ' ' LEU . 57.4 mt -73.04 -50.29 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.587 HD22 ' HA ' ' A' ' 149' ' ' ALA . 2.6 mt -59.67 -41.31 90.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.621 ' HA ' ' CZ3' ' A' ' 115' ' ' TRP . 3.2 tt0 -55.07 -52.08 64.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' ' 117' ' ' ASN . 34.5 t -52.84 -35.53 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.598 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 7.8 t80 -53.75 -46.63 70.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.621 ' CZ3' ' HA ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -88.14 -18.76 28.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -84.96 -4.29 59.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' ' 113' ' ' VAL . 3.9 m-80 -131.06 -50.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 119' ' ' ASP . 51.0 t60 -108.9 170.69 7.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.548 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 10.4 t0 -116.38 136.49 23.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 156' ' ' PHE . 18.2 Cg_endo -75.04 1.47 7.72 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.461 1.769 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' ' OD1' ' A' ' 119' ' ' ASP . . . -129.2 50.26 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.503 ' HG3' ' CE1' ' A' ' 118' ' ' HIS . 1.9 mm-40 -84.42 -20.37 31.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.42 -166.94 48.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.55 ' HE2' ' HB ' ' A' ' 132' ' ' THR . 0.8 OUTLIER -77.33 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 111.046 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.493 ' CB ' ' HA ' ' A' ' 130' ' ' HIS . 8.7 ptt-85 179.94 170.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.76 122.1 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.03 -123.85 30.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -91.58 -1.73 57.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 0.803 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.65 131.84 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 125' ' ' ARG . 2.7 p80 -116.67 147.42 41.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.79 175.88 28.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.55 ' HB ' ' HE2' ' A' ' 124' ' ' MET . 1.9 t -89.88 -13.46 36.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 2.0 mt-30 -89.33 -6.7 56.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -106.87 29.12 7.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -89.51 178.4 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.11 131.53 55.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -157.09 144.97 19.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.428 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.5 mt -117.68 129.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.477 ' HB2' HG22 ' A' ' 46' ' ' ILE . 51.2 m-85 -124.15 85.65 54.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.566 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.01 164.5 33.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.781 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.464 ' HA ' HD13 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -110.85 -21.76 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.5 p -112.97 162.92 19.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 110.362 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -31.5 6.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.59 1.837 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -68.68 -31.23 70.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -72.64 -40.41 66.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -47.45 85.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.42 83.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.04 70.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.08 -54.24 49.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.44 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 12.2 ptm180 -64.23 -31.68 72.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.352 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 155' ' ' ARG . . . -69.08 -45.55 70.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 2.6 p -58.14 -33.76 69.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 153' ' ' LEU . 7.9 tt -70.09 -51.22 33.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.21 -32.54 73.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 151' ' ' ALA . 47.0 ttt-85 -71.99 -41.42 67.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 120' ' ' PRO . 34.2 t80 -74.03 -37.92 64.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -57.76 -27.56 63.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.04 -33.93 44.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.36 -54.97 18.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 26.9 ptm -57.18 -34.48 68.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 165' ' ' ASP . 1.0 OUTLIER -65.37 -44.38 87.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.61 -17.52 60.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.35 16.96 12.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 4.4 t0 62.63 19.69 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.509 ' O ' HD12 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -93.71 105.28 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -89.32 15.64 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.99 155.37 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -97.87 127.47 43.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.578 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -66.59 119.49 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.87 -33.83 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 120' ' ' PRO . 2.7 m -46.81 130.81 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.87 128.06 39.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 4.8 mt -97.4 121.84 48.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -139.19 147.49 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -41.47 139.67 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -55.59 118.0 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 3.1 p -98.94 163.11 19.41 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.763 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -102.69 150.32 23.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -110.14 139.18 45.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -63.28 141.19 58.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -86.94 160.95 18.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 0.5 OUTLIER -44.95 158.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.5 -30.13 71.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.63 -37.15 85.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 15.5 m-70 -80.06 -51.15 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.409 ' OE1' ' HA ' ' A' ' 69' ' ' ALA . 1.2 mt-30 -51.77 123.11 9.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.548 ' CD ' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 49.31 53.52 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.401 1.063 . . . . 0.0 110.299 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.587 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 7.8 t80 -69.62 -48.2 60.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.4 -9.75 50.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -33.06 73.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.583 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.86 -25.43 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.82 100.88 9.75 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -14.58 20.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -108.86 20.95 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -76.53 -168.03 26.95 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 109.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 0.778 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 42.7 t -140.24 127.11 20.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -129.75 -56.66 0.1 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.395 1.06 . . . . 0.0 111.005 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 117' ' ' ASN . 2.6 tt -49.87 140.32 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 157.71 43.58 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.416 1.073 . . . . 0.0 111.017 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 161.28 41.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -130.88 128.26 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 121.27 90.28 1.1 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 131.38 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.786 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 33.1 m -120.36 77.2 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.79 97.1 44.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.47 11.48 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.533 1.807 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -38.99 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.448 1.762 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.86 60.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.17 -44.98 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -127.7 159.88 33.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.38 143.74 42.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -87.22 24.33 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.53 6.61 19.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -74.87 131.66 40.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.546 HD12 HG21 ' A' ' 132' ' ' THR . 4.0 tp -103.09 130.64 50.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.3 p -54.64 152.54 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.79 167.23 15.8 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.942 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -35.94 2.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.42 61.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -33.49 8.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.98 147.71 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.271 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.89 148.4 13.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.35 19.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.42 169.31 29.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -131.89 159.91 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.781 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -87.04 81.41 8.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -133.86 99.42 13.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 110.394 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 135.94 19.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.578 1.831 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm -111.62 118.77 46.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -104.38 143.48 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.85 150.15 7.92 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' HD23 ' A' ' 27' ' ' LEU . 8.7 m -76.82 -31.05 56.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' THR . 7.8 mt -135.43 158.37 44.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 49.9 t-80 -57.98 163.96 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' NE2' ' A' ' 191' ' ' HIS . . . -74.77 -54.78 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -91.15 -52.12 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 1.9 t30 -57.33 -34.48 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 60.46 12.69 26.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -100.74 167.95 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.614 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 m -52.95 119.83 5.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mmm -80.24 -43.58 21.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.077 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.9 p -74.82 -53.87 8.34 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.26 129.64 41.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.373 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 42' ' ' MET . 1.3 t -121.85 135.02 24.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 148.7 35.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.0 126.8 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.12 -9.7 39.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.567 ' HB3' HG13 ' A' ' 38' ' ' VAL . 34.9 tpp -91.73 157.64 16.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -138.32 165.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.785 HG12 HG22 ' A' ' 99' ' ' VAL . 5.4 mt -119.22 151.08 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 100' ' ' TYR . . . -139.33 125.31 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.146 HG21 ' CE1' ' A' ' 179' ' ' PHE . 2.6 mp -105.67 131.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.522 ' CD2' HG12 ' A' ' 138' ' ' ILE . 20.3 m-85 -142.95 149.0 37.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.85 117.74 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.598 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 5.6 ttm -136.53 16.38 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.79 -130.65 10.38 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.532 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -43.85 110.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 23.7 p90 -83.63 0.45 46.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.801 ' CZ3' ' CE2' ' A' ' 189' ' ' TYR . 30.1 m0 -70.94 -61.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 107.977 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.84 -43.06 15.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 51' ' ' CYS . 75.5 t -52.8 -47.01 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HG3' HG11 ' A' ' 96' ' ' VAL . 82.3 tt0 -69.27 -32.05 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 4.4 ttt180 -61.68 -56.07 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.814 HD22 ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -61.66 -32.19 72.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.796 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -64.63 -52.91 54.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.627 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.52 -21.21 60.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.081 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.476 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . 4.1 mt-30 -79.61 0.44 30.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.062 HD21 HG21 ' A' ' 113' ' ' VAL . 7.1 mt -86.11 142.47 36.07 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.6 ' O ' HD12 ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.05 113.9 3.9 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.51 1.795 . . . . 0.0 111.037 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.23 -13.63 9.56 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 60' ' ' TRP . 18.6 t -82.62 120.09 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.409 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.1 t80 -73.57 -56.07 5.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -153.47 164.12 38.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 13.1 p -133.13 160.82 36.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.832 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -147.54 151.25 36.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.01 120.34 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.8 177.47 20.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -120.31 151.82 38.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -169.61 177.02 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.66 -26.15 19.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.512 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.75 -166.76 42.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -115.8 -34.36 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.585 0.815 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 54.2 m -52.6 117.92 11.87 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.613 1.196 . . . . 0.0 110.336 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 125.81 9.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' HA ' ' CD2' ' A' ' 180' ' ' TYR . 19.8 t-20 58.99 63.79 3.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.473 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.6 Cg_endo -74.9 163.87 34.62 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.565 1.823 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 85' ' ' VAL . 71.5 p -121.26 158.62 27.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -51.12 -45.52 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -60.04 -52.44 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 69.4 mt-10 -55.22 -49.6 71.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 81' ' ' THR . 87.4 t -61.23 -41.15 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 -36.24 62.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -49.64 58.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.16 16.44 25.35 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.77 15.9 22.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 2.5 p -111.8 -29.35 7.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.08 0.3 69.65 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.512 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 81.5 m-70 -79.86 150.94 30.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.59 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.54 169.79 9.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.51 115.69 21.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.81 166.69 16.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 69' ' ' ALA . 83.9 t -146.72 135.03 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -93.88 118.32 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.513 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.9 mp -108.74 126.97 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.785 HG22 HG12 ' A' ' 44' ' ' ILE . 14.7 t -108.54 118.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 41.6 p90 -141.4 161.7 37.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.95 133.51 20.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.02 0.36 9.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 p -90.33 -18.97 24.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.4 t -112.04 -61.65 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' PRO . 21.4 tt -109.65 166.58 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.5 p -122.87 154.04 38.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.912 ' O ' HD12 ' A' ' 111' ' ' LEU . 17.2 p90 -58.04 -35.41 71.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.066 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.644 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 tt0 -57.86 -47.67 82.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -58.18 -35.32 71.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.811 HD23 HD13 ' A' ' 62' ' ' LEU . 29.0 mt -70.19 -44.26 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -67.46 -45.04 77.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -36.52 71.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.062 HG21 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -69.53 -36.55 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -54.72 -52.92 60.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.974 ' O ' HG21 ' A' ' 203' ' ' ILE . 2.2 m95 -73.2 -19.11 61.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.031 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -97.9 8.85 44.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.814 ' ND2' HD22 ' A' ' 58' ' ' LEU . 65.1 t30 -111.6 -50.81 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.66 ' C ' HG22 ' A' ' 203' ' ' ILE . 0.6 OUTLIER -150.41 167.77 26.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.613 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.24 115.28 64.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.673 ' O ' HG22 ' A' ' 170' ' ' THR . 18.3 Cg_endo -75.05 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.71 48.99 0.82 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -100.0 -18.65 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.662 ' H ' HG21 ' A' ' 170' ' ' THR . . . 88.5 -151.72 22.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.15 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.3 54.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.973 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -179.95 150.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.48 ' HG2' ' CD1' ' A' ' 134' ' ' TYR . 0.0 OUTLIER -131.2 126.95 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.47 -120.04 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.96 10.64 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.528 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 1.9 m-20 -110.38 127.81 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.24 153.17 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.646 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.59 162.82 10.46 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.546 HG21 HD12 ' A' ' 8' ' ' LEU . 94.2 m -84.37 -3.47 58.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 0.711 . . . . 0.0 110.373 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -92.23 -9.63 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 36.5 m-85 -97.58 37.42 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -76.86 -170.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.7 m -139.52 134.94 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -166.47 148.13 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.522 HG12 ' CD2' ' A' ' 47' ' ' PHE . 79.9 mt -113.8 133.39 59.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -129.58 89.83 45.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.06 176.02 10.48 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.6 mm? -111.06 -28.54 8.26 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.497 1.123 . . . . 0.0 109.383 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 1.8 p -116.94 168.08 9.55 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -33.84 4.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.44 1.758 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.66 -34.91 78.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -73.22 -37.05 66.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -49.13 70.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.8 -38.05 69.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.23 -41.91 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' A' ' 111' ' ' LEU . . . -58.05 -52.29 66.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -66.02 -31.94 73.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.98 -48.51 52.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.1 p -56.53 -43.91 80.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.647 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.3 tt -64.45 -45.63 86.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.48 -42.34 87.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -46.36 35.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.224 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.0 -45.74 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' HD23 ' A' ' 161' ' ' LEU . 32.2 tt0 -51.97 -34.66 43.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.611 1.194 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -76.72 -33.91 58.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -55.7 17.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 165' ' ' ASP . 4.0 ptm -58.96 -33.69 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 157' ' ' GLN . 0.6 OUTLIER -63.13 -39.06 93.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.44 -19.09 64.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.51 15.64 10.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 7.8 t0 67.33 24.61 8.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 160' ' ' MET . 7.1 t70 -89.37 87.08 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -4.64 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.057 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 150.75 5.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.185 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -97.56 139.66 33.14 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.571 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.946 HG23 HG22 ' A' ' 171' ' ' THR . 10.8 mt -70.4 118.73 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 120' ' ' PRO . 10.0 t -94.45 -8.19 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.946 HG22 HG23 ' A' ' 169' ' ' ILE . 12.7 t -80.25 148.99 30.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.633 1.208 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.91 149.33 43.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.478 1.111 . . . . 0.0 110.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.4 mp -101.04 133.42 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.87 161.91 40.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -59.89 158.81 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -78.4 124.29 27.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -102.13 178.64 1.16 Allowed Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.459 1.1 . . . . 0.0 110.399 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.1 Cg_endo -75.02 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 1.146 ' CE1' HG21 ' A' ' 46' ' ' ILE . 9.2 m-85 -71.35 144.19 49.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 79' ' ' ASN . 37.0 m-85 -110.97 119.91 40.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 7.3 m-85 -60.36 133.14 55.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -89.96 169.48 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.58 136.97 49.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.83 -37.69 52.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -25.61 6.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.412 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 97.8 m-70 -98.43 -47.21 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 188' ' ' GLN . 13.6 mt-30 -51.55 134.29 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.619 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 7.7 pt20 34.78 49.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.801 ' CE2' ' CZ3' ' A' ' 53' ' ' TRP . 41.5 t80 -60.82 -32.32 71.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -60.99 -18.8 59.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.65 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -71.12 -35.68 71.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -44.77 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.562 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -132.37 114.42 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -16.12 20.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 195' ' ' TYR . 3.2 p90 -105.05 23.91 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -78.1 -167.92 31.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -86.15 129.3 34.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 199' ' ' GLY . 26.6 p -119.49 -44.18 2.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.413 ' N ' ' SG ' ' A' ' 198' ' ' CYS . . . 75.01 -54.36 2.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.939 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 118' ' ' HIS . 15.8 tt -49.72 149.37 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -167.92 81.98 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 66.99 178.46 10.05 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.974 HG21 ' O ' ' A' ' 115' ' ' TRP . 5.5 pt -111.03 -36.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 92.72 -24.86 21.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.742 ' HB ' HD12 ' A' ' 203' ' ' ILE . 20.2 t -78.84 151.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 30.7 p -116.51 151.05 36.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 108.352 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.504 ' H ' HD13 ' A' ' 207' ' ' LEU . 0.0 OUTLIER -141.49 157.51 65.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 123.38 7.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.453 1.765 . . . . 0.0 111.013 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -65.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.39 102.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 110.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.43 -44.43 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -112.75 110.33 20.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.14 26.43 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.685 ' HZ2' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -78.15 -3.63 43.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.44 3.57 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -84.29 71.37 10.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.636 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.785 HD22 HH12 ' A' ' 135' ' ' ARG . 10.7 tp -122.06 150.73 41.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 p -61.34 150.35 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.513 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.1 OUTLIER -92.27 178.89 1.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.943 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.513 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.98 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.29 -16.82 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.45 -37.21 18.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 160.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.06 113.3 56.68 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.388 1.055 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.49 106.17 1.02 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -90.2 138.34 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 0.787 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.18 170.79 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.663 HG23 ' HD2' ' A' ' 21' ' ' PRO . 2.7 m -69.07 144.31 95.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.462 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.02 137.19 21.35 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.54 157.09 58.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.39 25.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.61 159.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.26 158.11 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.417 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.5 m -75.92 -31.55 59.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 26' ' ' THR . 13.4 mt -134.51 175.26 9.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 59.2 t-80 -72.28 168.14 18.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -64.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG11 ' CZ2' ' A' ' 60' ' ' TRP . 2.8 t -90.82 -48.29 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -57.92 -30.76 66.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 53.31 18.8 7.34 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 33.8 m170 -100.26 167.32 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.569 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.6 p -69.79 119.7 14.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -55.04 5.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.6 p -56.81 -53.29 59.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.86 126.85 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG21 HD11 ' A' ' 44' ' ' ILE . 1.9 t -116.83 136.14 23.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.0 150.11 37.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.481 1.78 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.31 129.73 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.84 -19.9 34.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.75 167.05 14.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.99 165.16 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.626 HG12 HG22 ' A' ' 99' ' ' VAL . 6.8 mt -113.44 155.29 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.378 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -150.04 125.84 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.736 HD12 ' HB1' ' A' ' 176' ' ' ALA . 11.9 mt -97.89 129.14 48.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -134.74 139.67 45.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -122.35 109.97 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.522 ' HG2' ' CD2' ' A' ' 118' ' ' HIS . 19.1 mtp -131.27 34.62 3.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 77.67 -132.07 11.63 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.9 t -40.53 112.43 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 36.6 p90 -83.78 -2.58 56.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.696 ' HB3' HD23 ' A' ' 190' ' ' LEU . 54.0 m0 -70.42 -60.62 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.93 -43.02 18.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 58' ' ' LEU . 57.2 t -52.86 -52.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.804 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' HG3' HG11 ' A' ' 96' ' ' VAL . 1.1 tt0 -60.16 -41.72 93.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.724 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 0.3 OUTLIER -61.33 -37.11 82.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 HD21 ' A' ' 117' ' ' ASN . 0.1 OUTLIER -68.56 -34.51 75.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 62' ' ' LEU . 15.9 m-85 -81.11 -33.24 33.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.639 ' CZ2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -74.51 -37.0 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.012 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -77.83 -8.4 57.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.974 HD11 HG11 ' A' ' 113' ' ' VAL . 2.3 mt -68.95 134.91 89.72 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -74.97 113.97 3.92 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.55 -7.34 11.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 59' ' ' PHE . 24.4 t -86.68 119.81 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 109.24 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 5.7 t80 -72.33 -46.17 56.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -165.15 167.52 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.1 p -139.54 164.77 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.781 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -154.72 137.06 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -94.6 147.17 23.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.564 ' HA3' ' CD2' ' A' ' 179' ' ' PHE . . . -170.8 -171.51 36.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.468 ' HB2' ' CE2' ' A' ' 180' ' ' TYR . 20.7 m-85 -136.72 144.66 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.76 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 3.1 t -170.61 177.91 3.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 103.71 -16.48 51.4 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -90.96 -157.71 33.98 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -116.15 -40.95 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 ' N ' ' HE2' ' A' ' 92' ' ' HIS . 96.0 m -49.61 119.37 9.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.09 . . . . 0.0 110.397 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -75.02 133.34 16.45 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.45 1.763 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 47.33 63.94 9.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.421 1.075 . . . . 0.0 109.232 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.04 169.9 21.58 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.509 1.794 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 83' ' ' ARG . 10.9 m -116.44 152.9 33.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.02 -45.43 52.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -61.24 -43.68 98.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -62.75 -47.29 84.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 133' ' ' GLN . 60.9 t -63.33 -36.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 4.6 t -57.3 -38.24 73.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.2 m -66.58 -45.62 78.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.72 19.63 26.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -98.41 15.35 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -112.08 -35.03 5.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.49 69.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 44.1 m-70 -67.85 148.82 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.678 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.27 168.84 10.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.443 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 31.3 mt-10 -75.06 116.18 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.74 157.06 47.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.781 HG13 ' O ' ' A' ' 69' ' ' ALA . 91.1 t -140.45 141.47 32.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -87.14 126.19 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.459 ' N ' HD12 ' A' ' 98' ' ' ILE . 4.3 mp -116.09 121.34 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.626 HG22 HG12 ' A' ' 44' ' ' ILE . 3.8 t -108.78 114.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.496 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 32.5 p90 -133.84 165.88 23.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.35 136.11 20.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.08 0.98 8.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.441 1.758 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -27.66 19.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.3 t -106.11 -61.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 63' ' ' PRO . 16.5 tt -109.56 160.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.1 p -121.46 141.21 51.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 145' ' ' GLN . 48.0 t80 -44.99 -35.78 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.91 -42.23 93.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.11 -32.66 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 113' ' ' VAL . 62.5 mt -66.0 -34.38 77.97 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.55 ' CD2' HD13 ' A' ' 138' ' ' ILE . 17.0 mt -76.12 -30.44 58.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -55.29 21.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 62' ' ' LEU . 3.5 p -54.5 -42.6 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.485 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 25.7 t80 -46.61 -56.43 6.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.805 ' CZ2' ' CD2' ' A' ' 156' ' ' PHE . 11.0 m0 -57.46 -28.64 63.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.7 tt0 -91.16 6.85 43.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.672 HD21 HD13 ' A' ' 58' ' ' LEU . 28.6 m120 -113.07 -40.24 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -169.61 169.53 8.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.387 1.055 . . . . 0.0 109.574 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.754 ' HB2' HG22 ' A' ' 203' ' ' ILE . 12.8 t70 -102.44 141.72 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.576 ' HD3' ' CE2' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.99 28.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -140.11 49.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -104.03 -1.52 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 63.77 -156.23 43.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.428 1.08 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.541 ' CE ' HG22 ' A' ' 132' ' ' THR . 6.9 ptp -90.16 63.63 5.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 0.737 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.73 145.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.625 1.203 . . . . 0.0 110.329 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 30.3 tt0 -128.35 116.4 19.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.81 -123.2 23.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -85.72 8.9 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 9.0 m-20 -102.91 125.81 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -119.79 138.35 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.576 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 156.41 165.15 14.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.541 HG22 ' CE ' ' A' ' 124' ' ' MET . 81.4 p -85.61 -0.2 54.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.741 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.533 ' HG2' HG12 ' A' ' 85' ' ' VAL . 5.7 mp0 -92.85 -7.33 46.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 57.6 m-85 -103.69 37.44 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.785 HH12 HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -88.6 148.77 23.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 23.7 p -96.06 137.43 35.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -168.49 147.37 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.55 HD13 ' CD2' ' A' ' 111' ' ' LEU . 26.4 mt -110.58 124.8 67.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.709 ' CE1' ' HB3' ' A' ' 174' ' ' ALA . 54.0 m-85 -118.77 89.52 38.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.793 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.98 -173.78 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 176' ' ' ALA . 1.9 mm? -118.69 -38.25 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 5.2 p -98.62 165.56 14.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.38 4.59 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.23 -30.33 70.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 78.5 mt-30 -73.76 -40.56 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -39.42 90.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.635 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -70.87 -36.41 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.13 -41.67 66.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.404 ' HB2' ' OH ' ' A' ' 107' ' ' TYR . . . -60.46 -54.37 46.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.55 -43.22 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 156' ' ' PHE . 1.4 p -70.89 -35.68 72.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.509 HD12 ' CG2' ' A' ' 171' ' ' THR . 8.8 tt -57.28 -50.96 71.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.97 -35.5 76.93 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -26.0 53.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.603 1.189 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.805 ' CD2' ' CZ2' ' A' ' 115' ' ' TRP . 0.1 OUTLIER -68.77 -44.5 73.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 158' ' ' ALA . 1.0 OUTLIER -51.41 -34.28 34.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 157' ' ' GLN . . . -80.63 -41.13 24.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -55.91 -56.21 23.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 167' ' ' ARG . 3.8 ptt? -62.87 -35.55 80.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.15 -44.83 92.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -58.46 -24.22 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.5 9.46 23.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 70.48 28.06 3.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.41 99.87 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.45 18.52 6.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.433 ' O ' ' CE ' ' A' ' 160' ' ' MET . 24.1 mtt180 -52.77 163.64 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.685 ' CG ' ' HZ2' ' A' ' 5' ' ' LYS . 52.8 t-80 -100.42 131.46 46.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.808 ' CG2' HG22 ' A' ' 171' ' ' THR . 51.0 mt -67.89 94.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 18.2 p -71.6 -9.46 58.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.406 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.808 HG22 ' CG2' ' A' ' 169' ' ' ILE . 0.9 OUTLIER -69.97 149.03 48.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.2 pt-20 -130.88 144.24 51.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 138' ' ' ILE . 24.9 mm -109.74 130.45 62.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.709 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -153.77 159.21 41.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.97 158.78 30.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.793 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -65.95 118.79 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.249 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 21.9 p -97.94 163.15 20.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.09 85.83 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.568 1.825 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -81.97 151.91 26.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.506 ' C ' ' CD1' ' A' ' 180' ' ' TYR . 0.3 OUTLIER -101.48 130.18 47.69 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -59.56 127.08 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.068 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -68.51 170.0 9.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -54.1 161.56 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.01 -37.37 85.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.77 -34.03 69.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -83.52 -41.98 17.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.594 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -53.81 122.83 10.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 47.59 53.64 10.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 64.0 t80 -62.79 -53.21 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.067 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.724 HD12 ' CZ ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER -47.67 -27.45 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.509 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -72.8 -40.4 65.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.574 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 189' ' ' TYR . 12.3 tttt -71.73 -34.7 69.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.84 97.66 32.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -15.44 20.54 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -95.29 -4.48 45.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -56.26 -162.61 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.553 ' O ' HD21 ' A' ' 190' ' ' LEU . 4.2 m-85 -82.71 123.0 28.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 0.711 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 28.9 p -121.66 56.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.326 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -100.16 118.78 6.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 117' ' ' ASN . 7.3 tp -104.97 -47.05 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 89.13 -131.9 10.96 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.533 1.145 . . . . 0.0 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.42 168.21 31.08 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.754 HG22 ' HB2' ' A' ' 119' ' ' ASP . 46.5 pt -100.48 -42.59 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 0.76 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 203' ' ' ILE . . . 58.07 43.08 95.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 160' ' ' MET . 19.4 t -114.56 144.12 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.23 118.23 3.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.777 ' C ' HD22 ' A' ' 207' ' ' LEU . 0.0 OUTLIER -138.76 146.37 50.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.72 4.03 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -84.78 -37.56 20.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.0 tp -109.89 -44.94 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -142.25 158.58 43.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.62 108.61 15.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -87.27 29.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 8.23 21.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 5' ' ' LYS . 10.8 p80 -60.18 109.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.632 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' A' ' 132' ' ' THR . 51.5 tp -100.29 161.59 13.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 6.2 p -86.12 155.7 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.27 170.99 8.26 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.064 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -36.25 2.66 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.18 -30.58 60.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.563 1.164 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HB3' HG22 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -75.71 -41.73 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.87 159.13 0.43 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 90' ' ' THR . 0.3 OUTLIER -74.69 156.06 86.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -14.29 21.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' HA3' HG23 ' A' ' 77' ' ' THR . . . 57.94 179.66 0.93 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -130.33 174.59 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -100.55 94.0 5.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -141.72 99.44 6.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 137.24 21.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.5 mmt -87.66 155.87 53.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 145.27 31.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.83 128.27 62.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 155.15 13.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 m -72.17 -34.3 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.2 mt -127.44 176.83 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.7 t-80 -72.36 166.44 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.638 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -74.04 -58.45 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 191' ' ' HIS . 23.8 t -90.75 -51.15 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.371 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -57.0 -34.46 68.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 58.66 13.04 16.04 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.458 1.099 . . . . 0.0 111.055 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.666 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -101.0 -176.07 3.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 0.737 . . . . 0.0 109.62 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -52.73 119.84 5.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -54.75 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -79.74 -52.92 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -49.69 126.08 12.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.55 135.32 20.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -75.07 139.07 23.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.96 131.73 50.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.58 -1.08 56.89 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.481 ' HE1' ' OD2' ' A' ' 101' ' ' ASP . 2.2 mtt -112.42 161.22 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -134.85 165.92 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.956 HG12 HG22 ' A' ' 99' ' ' VAL . 4.2 mt -106.51 155.09 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.32 124.36 21.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.8 mt -109.42 124.83 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.531 ' CD2' HG12 ' A' ' 138' ' ' ILE . 31.4 m-85 -143.36 153.64 42.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -125.12 110.43 14.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -128.5 35.38 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.42 -137.31 16.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.803 ' O ' HG23 ' A' ' 55' ' ' VAL . 24.8 p -45.1 109.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' HB2' ' CG2' ' A' ' 96' ' ' VAL . 5.3 p90 -82.23 -1.64 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.715 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 8.0 m0 -71.82 -54.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.0 -42.46 19.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.594 1.184 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 51' ' ' CYS . 90.6 t -51.08 -55.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.0 pt-20 -60.95 -40.15 92.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -64.33 -32.63 74.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -83.29 -34.19 25.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 9.0 m-30 -66.07 -56.22 12.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -62.64 -19.86 64.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 108.037 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.67 -2.78 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD11 HG21 ' A' ' 113' ' ' VAL . 3.6 mt -98.42 144.57 28.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 109.05 2.86 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 138.69 -17.88 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 75.0 t -85.28 109.32 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.666 ' CD2' ' CE1' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -75.59 -50.41 15.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.61 159.36 43.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.045 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 98' ' ' ILE . 60.5 p -143.06 151.42 40.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -144.04 149.59 36.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.35 147.62 31.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.72 -175.34 43.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 180' ' ' TYR . 10.6 m-85 -125.39 154.75 41.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 t -170.12 166.17 9.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.435 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.89 -19.75 43.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.556 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.42 -170.12 46.2 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -110.71 -32.2 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 12.0 m -57.47 119.58 33.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 133.57 16.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.417 1.746 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.2 m120 44.23 63.89 7.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.498 ' HD2' ' CD2' ' A' ' 180' ' ' TYR . 18.4 Cg_endo -74.98 167.65 26.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.403 HG21 ' NH2' ' A' ' 83' ' ' ARG . 3.2 m -114.18 169.97 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -62.54 -49.85 73.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.403 ' NH2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -58.28 -36.8 73.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.64 -49.58 65.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' THR . 73.6 t -61.57 -45.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -51.71 -33.14 33.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 108.262 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -48.77 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.83 9.08 53.36 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -97.5 25.62 5.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.465 HG22 ' CD2' ' A' ' 15' ' ' LEU . 6.8 p -115.24 -33.54 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.65 2.97 90.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.556 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 71.6 m-70 -86.27 146.85 26.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.69 154.61 28.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.497 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 52.1 mt-10 -70.16 114.53 8.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.75 168.86 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 69' ' ' ALA . 16.7 t -145.09 136.33 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.382 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 1.005 ' C ' HD13 ' A' ' 98' ' ' ILE . 5.2 ttm180 -95.62 115.08 26.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.005 HD13 ' C ' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -109.82 141.07 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.956 HG22 HG12 ' A' ' 44' ' ' ILE . 5.2 t -123.74 114.03 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.711 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.6 p90 -136.97 165.64 25.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.102 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' OD2' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -101.34 136.81 19.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.65 18.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.591 1.838 . . . . 0.0 111.058 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -13.16 38.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -112.22 -62.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.453 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 10.6 tt -112.42 160.29 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.408 ' N ' HG12 ' A' ' 105' ' ' ILE . 2.5 p -115.56 170.81 8.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 40.0 p90 -72.54 -45.98 56.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.629 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 5.9 pt-20 -55.46 -30.34 60.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -72.41 -36.75 68.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.711 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 86.6 mt -73.68 -39.27 64.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.7 OUTLIER -68.13 -37.78 81.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -66.38 -47.49 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.238 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.606 HG21 HD11 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -57.31 -35.57 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.567 ' CE1' ' CE1' ' A' ' 59' ' ' PHE . 18.3 m-30 -66.13 -57.77 6.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.744 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 9.8 m95 -63.84 -19.1 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -93.18 -9.34 39.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.242 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.475 ' O ' ' CG1' ' A' ' 200' ' ' ILE . 3.2 m120 -110.89 -23.47 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.458 ' CE1' ' OE1' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -156.95 170.24 22.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.627 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.87 141.4 22.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.2 Cg_endo -75.06 0.51 8.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -114.84 49.89 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.458 ' OE1' ' CE1' ' A' ' 118' ' ' HIS . 18.3 tp60 -102.88 15.19 30.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 38.14 -157.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.5 ptp -83.96 66.15 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.57 158.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 49' ' ' MET . 2.1 tt0 -143.62 119.21 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.16 -123.54 21.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.59 13.46 12.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.418 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 32.9 m-20 -109.23 124.57 51.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -119.06 144.22 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.168 . . . . 0.0 109.599 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 151.0 170.09 17.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.432 HG21 ' CD1' ' A' ' 8' ' ' LEU . 18.8 m -85.76 0.2 53.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 110.413 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -93.16 -10.56 35.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 47.9 m-85 -107.75 38.5 2.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -89.28 166.98 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.9 m -106.58 129.12 54.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.036 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.41 157.65 32.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.744 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 69.4 mt -130.54 133.39 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -130.1 87.78 50.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.46 16.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -114.96 -32.42 5.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.0 p -98.89 160.6 27.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.32 10.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.763 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.03 -35.11 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 110.343 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -66.14 -40.85 90.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.401 ' OD1' ' CG2' ' A' ' 173' ' ' ILE . 0.5 OUTLIER -61.7 -51.88 66.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.3 -36.73 71.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.83 -41.2 62.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 -54.68 40.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 151' ' ' ALA . 1.8 ppt_? -64.79 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.24 -48.0 83.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 156' ' ' PHE . 7.2 p -58.01 -42.23 84.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.4 tt -61.63 -48.68 79.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -63.96 -37.29 86.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -74.06 -35.55 64.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 152' ' ' SER . 87.7 t80 -71.88 -37.02 70.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -52.11 -39.45 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.78 51.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 207' ' ' LEU . . . -68.0 -29.95 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.402 ' CG ' ' CE2' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.83 -37.95 83.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.498 ' HB3' ' HB3' ' A' ' 207' ' ' LEU . . . -66.09 -15.84 63.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.94 -3.4 21.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 73.31 45.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -118.47 94.82 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.68 7.74 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 160.54 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -94.77 131.98 40.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 64.4 mt -76.95 111.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 3.8 t -81.81 -28.78 32.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.8 m -40.78 124.09 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.1 122.3 35.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.414 1.071 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 150' ' ' ARG . 12.9 mt -97.27 135.38 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -158.57 155.35 28.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 176' ' ' ALA . 34.7 t-20 -49.55 143.05 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.427 ' N ' ' OD1' ' A' ' 175' ' ' ASN . . . -58.89 139.13 56.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.57 165.23 14.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 83.96 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 23.9 p90 -76.57 149.66 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.724 ' CE2' ' CD1' ' A' ' 72' ' ' TYR . 0.7 OUTLIER -101.97 129.1 48.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.477 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 4.0 m-85 -61.9 141.31 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.75 168.19 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 1.3 mm-40 -52.22 147.33 7.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.73 -32.95 67.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -22.54 66.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 24.8 m-70 -93.8 -38.19 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.49 121.03 7.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.612 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 9.2 mp0 51.87 45.7 27.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.364 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.715 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 38.8 t80 -64.88 -52.54 55.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.675 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.2 OUTLIER -52.98 -20.91 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.682 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -75.29 -45.43 39.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -65.75 -39.41 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.16 105.0 53.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -23.18 14.19 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.821 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -109.52 25.68 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -80.76 -169.75 41.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.675 ' O ' HD21 ' A' ' 190' ' ' LEU . 1.6 m-85 -53.98 116.76 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.0 168.29 17.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 124.44 100.49 1.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.145 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 117' ' ' ASN . 0.4 OUTLIER -107.15 -49.01 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.449 0.735 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 116.13 -105.23 1.36 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.564 1.165 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 112.3 142.18 8.53 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.531 HG23 ' N ' ' A' ' 204' ' ' GLY . 1.1 tp -133.63 -55.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.531 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 66.12 75.93 0.39 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 6.8 t -96.92 110.59 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 0.807 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . 0.622 ' C ' HD22 ' A' ' 207' ' ' LEU . 1.6 m -120.02 78.27 1.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 206' ' ' CYS . 4.3 mm? -127.3 117.41 21.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.65 42.81 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 137.93 22.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.07 116.99 9.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.3 pt? -108.29 7.57 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -66.89 116.07 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -140.0 150.2 44.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -87.19 30.72 0.76 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -3.48 32.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -60.6 133.43 56.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.616 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.73 169.64 17.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.485 HG11 ' O ' ' A' ' 88' ' ' GLY . 11.2 p -113.16 160.75 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -93.5 162.32 28.06 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.968 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.1 Cg_endo -75.09 -34.8 3.47 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.555 1.818 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.34 -16.21 60.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.11 -35.57 9.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.66 144.21 6.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 89' ' ' ASP . 0.4 OUTLIER -69.33 146.88 96.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.05 54.47 3.68 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.579 1.831 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.563 ' CA ' HG23 ' A' ' 77' ' ' THR . . . 35.36 -149.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -163.85 163.69 23.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.776 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -92.62 81.3 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -150.1 99.33 3.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 110.434 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.67 35.53 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.776 . . . . 0.0 110.972 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.37 139.46 20.33 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.76 35.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.9 t -126.43 145.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.91 152.99 38.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.093 . . . . 0.0 109.375 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -73.28 -45.08 57.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.357 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.9 mt -117.84 157.75 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.2 t-80 -60.35 170.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.621 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.763 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -72.32 -65.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 t -91.68 -52.65 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 72.0 m-80 -56.94 -25.89 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.435 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 43.18 24.87 0.35 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -100.52 170.48 8.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.586 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -39.6 121.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 tpt -78.31 -50.69 11.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -94.83 -52.7 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -52.99 121.3 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 39' ' ' PRO . 53.1 t -101.28 136.28 19.7 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.02 143.45 29.02 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.06 125.91 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.93 6.7 45.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.7 mtt -122.15 165.31 16.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -143.14 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.925 HG12 HG22 ' A' ' 99' ' ' VAL . 8.1 mt -107.83 146.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -129.07 124.22 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.98 HD12 HD21 ' A' ' 141' ' ' LEU . 3.2 mt -108.68 127.2 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' CD2' HG12 ' A' ' 138' ' ' ILE . 35.3 m-85 -146.26 153.66 40.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.98 109.79 12.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.498 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -127.3 50.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.32 -136.17 32.05 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.8 ' O ' HG23 ' A' ' 55' ' ' VAL . 2.6 t -40.88 109.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' CD1' ' A' ' 53' ' ' TRP . 31.1 p90 -81.31 -20.44 40.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.785 ' HB3' HD23 ' A' ' 190' ' ' LEU . 13.6 m0 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.02 -48.51 8.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.896 HG13 ' CE1' ' A' ' 59' ' ' PHE . 81.3 t -51.91 -57.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' CE3' ' A' ' 60' ' ' TRP . 7.6 pt-20 -54.42 -37.65 65.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.696 ' CZ ' HD12 ' A' ' 190' ' ' LEU . 7.6 ttt180 -61.55 -57.37 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -34.58 78.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.896 ' CE1' HG13 ' A' ' 55' ' ' VAL . 3.5 m-85 -66.5 -45.96 77.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.638 ' C ' ' CD1' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -76.29 -29.34 57.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 108.049 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 4.3 mt-30 -77.09 0.1 22.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -81.45 139.55 48.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.91 107.81 2.57 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.69 -13.79 3.92 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' CG1' HG23 ' A' ' 98' ' ' ILE . 46.3 t -90.08 120.8 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -80.16 -45.63 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -145.48 159.43 43.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.974 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.804 HG23 HG13 ' A' ' 98' ' ' ILE . 88.7 m -147.43 145.63 29.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.395 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.22 160.16 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -117.34 149.6 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 97' ' ' ARG . . . -172.2 -163.64 26.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 179' ' ' PHE . 83.7 m-85 -134.83 152.83 52.07 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.458 0.74 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.52 ' HG1' ' CB ' ' A' ' 177' ' ' THR . 5.8 t -169.96 170.16 7.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.41 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.44 45.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.449 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -87.91 -176.64 47.94 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 11' ' ' PRO . 94.8 m-85 -106.84 -31.1 8.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.563 HG23 ' CA ' ' A' ' 17' ' ' GLY . 6.9 m -56.04 116.19 11.75 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.29 15.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' OD1' ' CE2' ' A' ' 180' ' ' TYR . 5.9 m120 52.24 63.01 9.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.99 169.87 21.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 p -124.98 158.69 33.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -55.16 -44.11 74.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -62.23 -50.03 73.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 27.8 mt-10 -59.84 -48.81 80.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 53.7 t -59.37 -42.53 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.66 -43.93 65.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 108.272 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -49.76 71.64 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.461 1.101 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.485 ' O ' HG11 ' A' ' 9' ' ' VAL . . . 106.25 21.97 8.13 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.647 ' O ' HD23 ' A' ' 15' ' ' LEU . 1.3 p30 -99.44 20.81 13.11 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.533 0.784 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.508 HG22 HD21 ' A' ' 15' ' ' LEU . 48.4 p -117.25 -35.08 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.97 8.73 87.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 44.9 m-70 -86.08 148.39 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.22 153.74 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.5 tp10 -70.52 114.84 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.02 163.8 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -146.58 129.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 179' ' ' PHE . 5.9 ptp180 -90.37 115.61 27.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.804 HG13 HG23 ' A' ' 68' ' ' THR . 2.6 mp -104.16 130.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.925 HG22 HG12 ' A' ' 44' ' ' ILE . 15.6 t -105.74 114.03 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.667 ' CD2' HD11 ' A' ' 110' ' ' LEU . 3.9 p90 -139.57 165.67 26.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -103.76 137.39 19.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -75.0 -6.41 18.02 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 -11.09 41.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.3 t -115.34 -52.39 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.2 tp -115.14 147.62 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.458 ' N ' HG13 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -111.3 147.39 35.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.604 ' CE1' ' OH ' ' A' ' 100' ' ' TYR . 9.8 m-85 -48.38 -48.64 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.47 -44.41 45.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -61.85 -49.53 75.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.667 HD11 ' CD2' ' A' ' 100' ' ' TYR . 16.7 mt -59.84 -35.67 75.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.69 -49.07 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.225 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.96 -46.14 82.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.679 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -55.62 -47.08 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.746 ' CE1' ' CZ ' ' A' ' 59' ' ' PHE . 17.0 m-30 -66.9 -55.07 16.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 46.6 m95 -48.65 -24.98 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -94.06 -30.23 14.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' PHE . 10.0 m-80 -107.64 34.35 3.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -170.44 158.17 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 119' ' ' ASP . 0.1 OUTLIER -112.51 133.52 21.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 169' ' ' ILE . 18.4 Cg_endo -75.04 0.09 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.691 ' HA ' HG23 ' A' ' 170' ' ' THR . . . -139.32 49.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -92.19 -18.03 24.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.6 -166.14 4.67 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.404 1.065 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.38 62.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 179.45 163.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.397 1.06 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 51' ' ' CYS . 1.6 tt0 -149.64 124.62 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 110.347 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.54 -124.19 21.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -91.58 11.61 23.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.56 118.1 35.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -113.16 152.94 29.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.704 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.74 166.03 11.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.6 m -82.12 -0.02 42.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.421 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.471 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -91.82 -17.45 25.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.56 1.163 . . . . 0.0 110.312 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -103.62 37.53 2.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -70.72 175.47 4.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.238 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -130.95 113.6 14.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.55 168.84 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.512 HG12 ' CD2' ' A' ' 47' ' ' PHE . 68.7 mt -124.69 128.17 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -116.09 84.41 13.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.55 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.4 Cg_endo -74.96 169.15 23.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 46' ' ' ILE . 4.4 mm? -120.14 -38.17 2.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 67.3 p -96.19 161.55 26.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.461 ' C ' ' OD1' ' A' ' 146' ' ' ASP . 18.3 Cg_endo -75.08 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -78.26 -29.82 48.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.564 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 54.6 tt0 -65.49 -59.8 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.461 ' OD1' ' C ' ' A' ' 143' ' ' PRO . 0.9 OUTLIER -52.87 -44.2 66.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.86 76.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.52 62.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.8 76.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -64.97 -45.48 85.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.58 77.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 p -57.23 -45.26 84.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.727 HD11 HG23 ' A' ' 171' ' ' THR . 6.7 tt -62.57 -48.02 81.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 29.4 tp10 -55.97 -38.22 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -48.62 32.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.5 OUTLIER -58.55 -30.6 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.722 ' HA ' HD11 ' A' ' 169' ' ' ILE . 54.0 tt0 -52.06 -32.61 35.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.34 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -54.66 -34.07 61.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -49.82 74.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 161' ' ' LEU . 2.7 mm? -56.84 -42.86 80.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.54 -19.54 49.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.38 17.35 14.67 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 10.3 t0 57.91 21.56 7.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.19 102.11 12.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.81 8.16 33.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -56.85 153.68 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -88.7 123.17 32.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.927 HG23 HG22 ' A' ' 171' ' ' THR . 54.8 mt -60.88 125.99 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 121' ' ' ALA . 20.8 p -95.97 -33.57 12.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.418 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.927 HG22 HG23 ' A' ' 169' ' ' ILE . 1.7 t -48.09 125.05 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.32 149.7 50.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.37 117.32 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -128.36 156.88 42.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -53.64 153.83 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -72.24 120.16 17.45 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.52 ' CB ' ' HG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -89.53 167.85 16.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.373 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.03 74.52 4.0 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.766 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 97' ' ' ARG . 7.5 p90 -61.71 150.32 37.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.478 ' CE2' ' OD1' ' A' ' 79' ' ' ASN . 32.4 m-85 -115.35 135.8 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.576 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 2.1 m-85 -59.69 131.99 52.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.85 169.81 14.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.368 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.13 155.7 4.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.234 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -65.18 -38.87 91.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.48 -37.02 67.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -82.28 -48.78 10.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.654 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.403 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 5.2 mt-30 -52.13 125.26 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.763 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 5.1 mp0 50.82 51.39 17.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.413 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 51.3 t80 -66.74 -50.77 61.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 53' ' ' TRP . 1.2 mm? -53.82 -20.93 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.459 ' CD2' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -74.58 -44.43 50.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.653 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.24 -27.89 64.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.55 99.22 8.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.17 16.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.432 1.754 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -96.98 -3.25 41.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -60.35 -167.64 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.75 131.51 40.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.09 -60.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 38.27 50.34 2.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.407 HD11 ' O ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -49.81 -42.3 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 103.43 -176.17 24.11 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.34 159.98 28.35 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.2 tp -125.09 -47.72 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.463 0.743 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 65.46 85.75 0.07 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.0 141.13 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.23 140.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 108.296 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 0.1 OUTLIER -68.88 -53.07 15.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.5 Cg_endo -75.03 153.69 41.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.557 1.819 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -41.64 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.786 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.54 125.07 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.36 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.54 14.44 31.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 109.373 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 3' ' ' PHE . 1.1 p90 -60.35 151.95 26.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.65 148.64 50.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -87.47 27.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -24.93 9.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -61.26 109.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.566 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.76 165.01 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 13' ' ' ASP . 4.7 p -59.77 160.65 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.445 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -109.81 175.73 1.82 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.95 -27.58 10.0 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.458 1.767 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.64 -23.07 56.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HB3' HG22 ' A' ' 9' ' ' VAL . 6.5 t70 -99.54 -33.03 10.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.73 150.42 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 77' ' ' THR . 0.6 OUTLIER -87.34 152.04 51.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.46 -150.09 22.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.98 174.23 11.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 0.77 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.99 104.43 17.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.432 HG22 ' SD ' ' A' ' 22' ' ' MET . 3.9 m -135.63 99.31 11.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 135.4 19.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.432 ' SD ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -113.66 130.3 23.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 151.45 39.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.7 t -114.33 133.73 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.74 150.88 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.2 m -75.39 -36.66 60.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -126.83 174.15 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.5 t-80 -78.65 167.14 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.94 -65.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 3.6 t -89.83 -48.65 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.6 t30 -57.11 -34.13 68.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 60.99 9.88 16.79 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 28' ' ' HIS . 58.3 m170 -101.59 170.21 8.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -68.15 119.01 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ptm -80.9 -29.77 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.7 p -70.12 -43.27 71.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.366 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -75.95 119.84 20.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG21 HD11 ' A' ' 44' ' ' ILE . 2.2 t -110.53 132.07 21.74 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.366 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 148.57 35.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.581 1.832 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.77 136.31 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.35 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.03 167.82 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.1 167.85 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.907 HG12 HG22 ' A' ' 99' ' ' VAL . 5.0 mt -116.56 151.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB2' ' HE1' ' A' ' 100' ' ' TYR . . . -134.92 124.65 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 139' ' ' TYR . 55.3 mt -113.66 123.49 69.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 1.046 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 1.7 p90 -152.08 154.95 36.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -108.72 131.08 55.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -142.8 16.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 90.84 -146.32 18.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.484 ' O ' HG23 ' A' ' 55' ' ' VAL . 9.4 p -40.76 109.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.732 ' HB2' HG11 ' A' ' 96' ' ' VAL . 33.3 p90 -81.45 3.79 23.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.655 ' HB3' HD23 ' A' ' 190' ' ' LEU . 50.3 m0 -73.18 -61.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.11 -31.31 53.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 51' ' ' CYS . 76.0 t -67.1 -58.21 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 24.0 tt0 -55.96 -56.28 22.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.082 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.623 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.28 -23.98 17.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 200' ' ' ILE . 0.2 OUTLIER -82.84 -32.78 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.807 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.7 m-85 -72.18 -57.51 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.623 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -59.77 -19.05 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 107.976 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.29 -23.16 60.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.608 HD11 HG11 ' A' ' 113' ' ' VAL . 2.9 mt -74.98 141.32 74.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 105.82 2.16 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.18 -12.5 3.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 98' ' ' ILE . 87.1 t -87.89 111.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.444 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 2.2 t80 -69.7 -55.0 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -156.86 163.26 39.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 110.056 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 16.1 p -142.4 170.05 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.369 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -149.95 160.48 43.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.812 ' HB3' ' HG2' ' A' ' 187' ' ' GLN . . . -115.39 147.74 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.61 -176.81 44.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -132.98 146.49 51.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 t -169.61 179.56 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.4 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 -26.33 24.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.35 -173.05 49.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -102.03 -30.94 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 15' ' ' LEU . 2.4 m -49.7 116.12 5.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 110.356 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 119.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.438 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-20 59.84 63.0 3.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.556 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.93 170.07 21.21 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 99.0 m -122.69 149.91 43.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -54.94 -37.58 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -58.83 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -67.08 -43.25 83.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.392 1.057 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' CG1' ' HG3' ' A' ' 133' ' ' GLN . 4.8 t -52.22 -40.66 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.17 -37.34 64.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 108.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.9 m -62.48 -44.76 95.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.0 22.57 29.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -97.83 12.92 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.477 ' HB ' ' CB ' ' A' ' 77' ' ' THR . 7.8 p -113.22 -19.76 11.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.86 1.47 89.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.575 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 69.0 m-70 -81.52 143.88 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.639 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.54 160.66 20.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.3 tm-20 -70.01 119.08 13.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.35 159.0 34.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.732 HG11 ' HB2' ' A' ' 52' ' ' PHE . 2.9 m -146.76 129.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.759 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -92.44 114.95 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.046 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp -103.78 130.63 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.907 HG22 HG12 ' A' ' 44' ' ' ILE . 19.7 t -108.88 115.27 49.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.487 ' HE1' ' HB2' ' A' ' 45' ' ' ALA . 45.6 p90 -138.87 164.75 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.062 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.12 137.4 20.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.97 -10.74 21.39 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -24.4 22.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -99.9 -48.56 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 100' ' ' TYR . 8.2 tt -131.97 140.84 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.2 p -95.31 145.13 25.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.025 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 7.5 p90 -53.46 -28.67 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.611 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.2 tt0 -62.64 -46.01 90.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -57.57 -33.26 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 100' ' ' TYR . 68.9 mt -71.51 -42.02 68.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 63.4 mt -66.95 -46.91 73.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.209 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 116' ' ' GLU . 2.2 mm-40 -60.29 -45.35 93.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.608 HG11 HD11 ' A' ' 62' ' ' LEU . 1.3 t -58.29 -44.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 8.1 t80 -56.84 -43.03 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.671 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 22.1 m95 -80.22 -19.43 46.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -90.09 -10.3 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 1.9 m120 -118.54 -2.71 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.437 ' C ' HG22 ' A' ' 203' ' ' ILE . 0.1 OUTLIER -169.94 170.44 7.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.538 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.08 154.11 40.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.439 ' HB2' HG23 ' A' ' 169' ' ' ILE . 18.5 Cg_endo -74.95 0.02 9.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -124.6 49.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 125' ' ' ARG . 3.4 tt0 -74.77 -19.18 60.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.578 ' H ' HG21 ' A' ' 170' ' ' THR . . . 68.88 177.12 13.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 ptm -79.73 62.78 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER 179.88 152.43 0.45 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -145.9 120.58 9.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 50.68 -119.0 6.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.587 1.179 . . . . 0.0 111.049 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.63 17.4 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 134' ' ' TYR . 7.3 m-20 -113.03 121.05 43.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -119.93 138.95 53.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.623 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.57 177.47 23.68 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.9 p -86.76 1.0 53.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.395 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.472 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 0.2 OUTLIER -91.23 -2.53 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.238 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 90.2 m-85 -124.24 58.05 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.421 ' CZ ' ' OE2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -113.07 -166.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.3 m -121.5 133.21 55.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.409 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -164.18 153.16 13.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.671 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 65.2 mt -131.76 139.8 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' ILE . 56.4 m-85 -135.26 88.57 25.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.2 Cg_endo -75.12 162.76 36.31 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.441 1.759 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mp -111.2 -17.94 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.5 p -115.42 166.79 11.23 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.25 -36.21 82.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 41.8 tt0 -75.31 -28.69 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -46.87 71.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.84 -44.15 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -56.74 -46.62 81.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.15 -54.24 49.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -60.16 -43.88 95.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -54.86 -48.31 73.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.0 p -65.39 -29.62 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.582 HD23 HD13 ' A' ' 169' ' ' ILE . 5.5 tt -67.68 -52.02 42.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -67.23 -34.23 77.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -74.05 -29.8 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.484 ' HA ' HD11 ' A' ' 169' ' ' ILE . 11.1 tt0 -51.91 -36.83 50.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.87 -45.0 19.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.03 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -47.13 86.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.67 -43.61 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.6 -15.94 59.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -95.69 19.35 11.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.32 24.02 14.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.58 97.72 5.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.07 14.44 10.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.91 163.27 0.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -98.53 129.58 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.635 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.582 HD13 HD23 ' A' ' 153' ' ' LEU . 16.1 mt -63.0 118.8 5.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.578 HG21 ' H ' ' A' ' 123' ' ' GLY . 13.9 t -89.88 1.87 55.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.453 ' HB ' ' CG2' ' A' ' 169' ' ' ILE . 3.1 m -70.71 122.42 19.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' CZ ' ' A' ' 135' ' ' ARG . 9.3 pt-20 -113.28 115.43 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 97.7 mt -94.8 128.77 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.22 153.31 27.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -46.59 158.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -75.98 127.05 32.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -101.56 170.24 6.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 72.81 4.56 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 2.8 p90 -64.57 150.46 46.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -99.4 127.9 45.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -66.47 139.5 57.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -84.21 163.7 19.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 1.4 mt-10 -56.2 162.24 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -71.88 -30.26 65.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.47 -28.16 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 4.3 m-70 -95.34 -49.35 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.812 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 12.6 mt-30 -51.05 131.39 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.406 ' O ' ' ND1' ' A' ' 191' ' ' HIS . 4.4 mp0 54.81 46.33 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.578 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 28.6 t80 -63.19 -54.09 42.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -52.4 -27.03 14.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.604 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -71.28 -42.1 69.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -35.94 72.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -121.14 94.17 48.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.42 21.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -100.14 6.66 44.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -71.21 -160.53 3.9 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.958 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 197' ' ' TYR . 5.2 p90 -119.99 141.16 49.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 199' ' ' GLY . 7.0 p -111.07 -48.24 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 108.331 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 198' ' ' CYS . . . 36.49 62.65 0.76 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.827 ' CD1' HD22 ' A' ' 58' ' ' LEU . 2.9 tt -110.33 -35.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.525 0.779 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -60.6 120.56 23.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 162.64 94.83 0.1 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.666 HD12 ' N ' ' A' ' 204' ' ' GLY . 2.0 pp -131.14 -58.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.666 ' N ' HD12 ' A' ' 203' ' ' ILE . . . 57.06 63.25 5.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.489 ' H ' HD12 ' A' ' 203' ' ' ILE . 52.2 t -134.97 155.74 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.08 104.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 1.1 pp -85.99 156.98 57.62 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.24 31.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 63.31 5.94 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.49 1.784 . . . . 0.0 110.96 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.16 119.55 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 64.9 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.79 13.34 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -60.37 159.94 9.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -114.66 82.47 1.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -87.33 29.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -86.97 9.87 18.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -60.49 133.71 56.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.901 ' HB2' HG21 ' A' ' 132' ' ' THR . 1.9 tt -62.82 159.35 16.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.416 1.072 . . . . 0.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 88' ' ' GLY . 8.6 p -138.73 165.57 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -92.63 173.37 5.11 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.3 Cg_endo -74.99 -44.97 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.45 -26.29 58.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.12 -33.16 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.06 141.68 10.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 5.6 mt -55.05 138.64 65.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' LEU . 18.4 Cg_endo -74.96 55.71 4.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.522 1.801 . . . . 0.0 111.051 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.472 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 51.55 175.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.78 148.66 25.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -74.58 88.14 2.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 20' ' ' THR . 5.5 t -149.65 99.23 3.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.414 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.2 20.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ttp -114.04 121.43 36.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.14 42.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 181' ' ' TYR . 15.7 t -120.44 146.83 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 151.56 22.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 27' ' ' LEU . 7.7 m -81.86 -31.68 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 26' ' ' THR . 6.0 mt -139.69 159.83 41.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.4 t-80 -58.55 168.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.551 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.843 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.63 -65.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG22 ' HD2' ' A' ' 191' ' ' HIS . 15.7 t -90.79 -47.51 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -58.57 -31.92 68.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 52.15 21.98 9.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -97.35 169.29 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.625 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.1 p -52.79 119.43 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.3 mmm -80.87 -55.49 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -69.0 -54.59 14.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.65 127.29 30.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 44' ' ' ILE . 2.1 t -104.0 136.92 19.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.553 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.4 Cg_endo -74.98 145.72 31.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -67.8 140.97 56.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.61 -10.3 75.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.563 1.164 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.587 ' HE3' ' CE1' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -107.35 166.88 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 110.977 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -145.65 164.65 31.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.075 . . . . 0.0 110.288 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.966 HG12 HG22 ' A' ' 99' ' ' VAL . 27.5 mt -109.4 150.71 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -136.71 125.1 23.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.662 HD12 HD21 ' A' ' 141' ' ' LEU . 2.9 mt -102.58 129.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 138' ' ' ILE . 23.6 m-85 -145.31 140.04 27.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.59 109.81 21.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.577 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.41 5.17 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 89.74 -132.32 11.2 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' ' 55' ' ' VAL . 3.2 t -40.34 109.86 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 96' ' ' VAL . 55.2 p90 -83.89 -1.82 55.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 38.1 m0 -71.46 -61.14 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.032 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -77.45 -38.97 27.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 51' ' ' CYS . 70.1 t -58.36 -56.78 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.78 . . . . 0.0 109.269 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 43.1 tt0 -57.84 -34.35 69.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.717 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -59.53 -57.02 14.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -60.82 -31.73 71.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.887 ' CD2' HD11 ' A' ' 98' ' ' ILE . 8.6 m-30 -72.3 -54.17 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.717 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.72 -37.4 86.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 37.4 mt-30 -77.5 0.33 23.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -80.58 138.74 51.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.829 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.04 111.02 3.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.78 -5.85 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.54 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.587 ' CE1' ' HE3' ' A' ' 42' ' ' MET . 1.5 t80 -71.18 -42.91 68.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 99' ' ' VAL . 67.1 m -168.28 162.02 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.545 HG22 ' HA ' ' A' ' 98' ' ' ILE . 54.1 p -139.2 169.2 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 97' ' ' ARG . . . -146.17 157.68 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.404 1.065 . . . . 0.0 109.286 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.743 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -119.62 144.99 46.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.461 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -176.84 -165.03 31.66 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.917 ' CD1' HG21 ' A' ' 85' ' ' VAL . 62.8 m-85 -129.25 153.07 48.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 0.792 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.29 167.42 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.7 -29.08 13.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.18 -176.03 47.97 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -104.68 -38.51 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 31.4 m -51.02 118.06 9.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -75.02 149.75 37.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 10.9 m-80 49.77 63.79 9.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -75.04 150.65 38.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 85' ' ' VAL . 89.7 m -124.17 163.92 20.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -56.12 -50.35 71.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -61.29 -30.54 70.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.827 ' HB3' HG21 ' A' ' 90' ' ' THR . 0.8 OUTLIER -69.14 -49.76 54.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.917 HG21 ' CD1' ' A' ' 72' ' ' TYR . 47.9 t -61.01 -45.9 97.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.4 t -49.89 -40.24 42.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 108.254 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -70.14 -34.41 73.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.058 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' VAL . . . 78.52 20.09 72.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.1 23.69 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.827 HG21 ' HB3' ' A' ' 84' ' ' GLU . 60.3 p -117.05 -35.2 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 89.28 -1.75 82.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.464 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 58.3 m-70 -77.85 150.3 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' ' CB ' ' A' ' 133' ' ' GLN . . . -114.51 168.51 9.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 115.36 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.21 155.18 50.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.743 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.6 m -144.41 151.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.557 ' HG2' ' CE1' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -100.48 131.66 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.887 HD11 ' CD2' ' A' ' 59' ' ' PHE . 2.5 mp -118.03 123.54 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.966 HG22 HG12 ' A' ' 44' ' ' ILE . 3.7 t -105.82 115.75 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.397 1.06 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.636 ' CD2' HD11 ' A' ' 110' ' ' LEU . 15.5 p90 -134.56 163.42 29.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.602 1.188 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 105' ' ' ILE . 2.5 t0 -106.12 138.11 19.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -7.78 19.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.6 t -90.16 -25.58 20.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.0 t -100.18 -61.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 15.9 tt -118.42 162.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.6 p -115.74 159.86 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 3.7 p90 -60.43 -39.06 86.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 6.7 pt-20 -60.89 -37.16 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.84 -46.13 88.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.636 HD11 ' CD2' ' A' ' 100' ' ' TYR . 33.0 mt -56.53 -45.38 81.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 138' ' ' ILE . 25.8 mt -57.01 -42.62 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.64 88.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.021 HG21 HD11 ' A' ' 62' ' ' LEU . 6.9 t -54.04 -52.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 1.4 m-30 -68.28 -45.15 73.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -41.62 -29.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 108.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' PHE . 21.1 mt-10 -104.69 -43.15 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.552 ' O ' ' HE2' ' A' ' 49' ' ' MET . 0.4 OUTLIER -91.74 36.65 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.083 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -170.16 162.28 8.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.9 t70 -132.01 125.79 20.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.563 1.164 . . . . 0.0 109.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.02 0.53 8.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.783 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.29 50.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.75 -20.08 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.786 ' H ' HG21 ' A' ' 170' ' ' THR . . . 75.49 -150.15 39.67 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.391 1.057 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.4 ptm -84.99 45.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.447 ' CG ' ' HA ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -153.4 150.3 28.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.383 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 134' ' ' TYR . 10.2 tp-100 -128.64 118.65 23.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.09 -114.69 7.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.397 1.061 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.51 19.85 16.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -115.21 160.31 19.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -118.55 152.22 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 153.39 141.69 3.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.901 HG21 ' HB2' ' A' ' 8' ' ' LEU . 57.3 p -72.74 -13.03 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.48 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 93' ' ' ALA . 5.9 pm0 -93.57 -5.11 49.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.466 ' HB3' ' CB ' ' A' ' 126' ' ' GLN . 4.0 m-30 -97.94 37.62 1.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -88.05 -174.23 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.2 m -120.07 125.65 48.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -158.83 149.74 20.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.818 HG23 ' CE1' ' A' ' 47' ' ' PHE . 56.4 mt -118.28 138.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.38 86.88 44.31 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.447 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.4 Cg_endo -75.09 173.01 15.25 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.662 HD21 HD12 ' A' ' 46' ' ' ILE . 4.6 mm? -112.02 -22.45 11.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -112.95 163.78 17.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.51 3.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.8 -32.07 73.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 140' ' ' PRO . 59.5 tt0 -74.99 -34.13 61.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -47.35 63.34 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -55.86 -42.53 75.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.61 -45.07 65.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.21 49.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.74 -35.58 81.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.97 -43.54 98.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.7 p -61.47 -34.51 75.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.388 1.055 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.622 ' CD1' HG23 ' A' ' 171' ' ' THR . 7.0 tt -57.61 -51.0 71.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -65.57 -33.99 77.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.41 -25.75 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CD2' ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -73.98 -43.12 59.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 111.05 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.757 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.3 OUTLIER -54.13 -35.57 62.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.21 -45.62 17.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.27 -46.15 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -41.48 91.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 157' ' ' GLN . 6.2 mp -61.43 -37.96 85.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.49 65.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.6 22.84 5.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 56.87 31.83 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.12 100.34 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.58 13.87 12.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -53.68 144.24 18.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -76.8 130.8 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.878 ' CG2' HG22 ' A' ' 171' ' ' THR . 9.2 mm -65.88 125.39 22.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.786 HG21 ' H ' ' A' ' 123' ' ' GLY . 10.8 t -103.67 -23.78 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.878 HG22 ' CG2' ' A' ' 169' ' ' ILE . 8.9 t -50.05 132.63 23.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.25 139.95 51.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.22 138.65 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -154.38 145.17 22.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.12 150.4 14.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.97 128.95 37.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 1.2 p -104.8 171.3 5.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 70.11 5.37 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.412 1.743 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 37.2 p90 -60.9 149.97 34.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -108.24 129.07 55.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.442 ' CB ' HG22 ' A' ' 24' ' ' VAL . 27.3 m-85 -61.55 141.31 57.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.461 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -89.91 170.21 10.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.478 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.2 tt0 -52.04 150.63 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.07 -44.21 76.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.75 -27.38 4.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.28 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.478 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 17.3 m-70 -92.99 -45.81 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.514 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 70' ' ' ALA . 2.7 mt-30 -50.01 125.53 12.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.701 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 7.0 mp0 58.27 48.56 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.558 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 81.1 t80 -62.04 -54.74 37.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.598 HD21 ' O ' ' A' ' 197' ' ' TYR . 0.1 OUTLIER -48.97 -24.84 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.843 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -72.43 -37.89 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 189' ' ' TYR . 1.8 tppp? -77.78 -32.12 52.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.524 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.2 OUTLIER -124.0 102.61 34.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -13.36 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -106.09 24.59 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -85.19 -170.06 46.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.598 ' O ' HD21 ' A' ' 190' ' ' LEU . 2.5 m-85 -67.7 118.39 10.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 0.797 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -139.97 43.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.246 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -121.84 129.04 7.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.36 148.09 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -141.76 148.7 20.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 96.19 46.61 2.57 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.4 pp -129.78 161.6 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 0.722 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 129.79 70.74 0.12 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 13.9 t -139.17 142.68 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 0.8 . . . . 0.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 1.1 m -79.28 115.14 18.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 108.309 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 208' ' ' PRO . 17.4 mt -65.77 -45.38 65.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 207' ' ' LEU . 18.1 Cg_endo -75.09 113.18 3.73 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.494 1.786 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -75.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.759 . . . . 0.0 111.062 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -77.29 150.58 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.54 14.51 20.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 6.1 p90 -60.61 122.95 16.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.02 89.4 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.6 9.76 15.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -39.35 94.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.07 100.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.563 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.819 HD23 HG21 ' A' ' 132' ' ' THR . 0.6 OUTLIER -96.78 157.22 16.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.682 HG12 HD13 ' A' ' 8' ' ' LEU . 9.8 p -49.83 149.99 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.01 170.84 9.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -41.97 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.77 -23.98 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.71 -38.16 18.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.71 158.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.6 mm? -51.47 154.51 3.11 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.83 15.6 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.64 163.67 24.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -116.6 141.37 48.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -79.76 74.71 6.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -149.84 99.45 3.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 110.423 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.23 28.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.21 114.73 57.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.999 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.93 40.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 181' ' ' TYR . 74.9 t -104.83 146.4 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.46 161.38 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.489 HG22 ' HG ' ' A' ' 27' ' ' LEU . 18.4 m -75.48 -43.79 47.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' A' ' 26' ' ' THR . 12.7 mt -134.84 152.59 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 61.5 t-80 -59.7 169.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -74.45 -61.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 17.0 t -91.41 -53.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.56 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 14.6 m120 -56.96 -25.87 58.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 49.18 20.68 2.26 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 31' ' ' ASN . 24.2 m170 -100.74 158.03 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.0 m -53.95 124.44 15.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.919 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 5.1 mmm -76.68 -46.33 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 111.033 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -80.09 -53.67 6.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.1 133.22 55.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 42' ' ' MET . 30.7 t -129.65 131.12 23.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 148.57 35.35 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.428 1.752 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.27 129.78 42.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.87 -11.54 52.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.412 ' HB3' HG13 ' A' ' 38' ' ' VAL . 24.7 tpp -95.88 156.2 16.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -142.07 164.58 29.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.923 HG12 HG22 ' A' ' 99' ' ' VAL . 8.2 mt -112.93 149.31 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.366 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -132.7 125.0 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.875 HD11 ' CE1' ' A' ' 179' ' ' PHE . 4.3 mt -99.35 125.03 53.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -140.03 144.67 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -118.19 118.59 32.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.598 ' HB2' HG11 ' A' ' 55' ' ' VAL . 12.6 mtp -137.36 28.56 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.52 -135.51 14.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -42.03 112.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p90 -80.85 -1.34 42.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.63 ' CZ2' ' CE2' ' A' ' 189' ' ' TYR . 51.4 m0 -70.6 -60.32 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 108.029 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.54 -42.86 20.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.567 1.167 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 49' ' ' MET . 75.9 t -54.32 -53.35 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 9.3 tt0 -62.36 -33.95 75.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.584 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -61.27 -56.56 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -58.38 -32.55 68.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.539 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.1 m-85 -67.54 -55.57 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.584 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.24 -17.32 63.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' ARG . 26.1 mt-30 -83.9 -7.03 59.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 2.8 mt -85.55 137.74 36.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 109.79 2.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.547 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.45 -8.98 5.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 68' ' ' THR . 72.4 t -91.71 115.54 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 99' ' ' VAL . 2.3 t80 -69.53 -42.52 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.473 ' C ' ' CG2' ' A' ' 68' ' ' THR . 4.6 m -173.87 157.72 3.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.95 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.563 ' CG2' ' CG1' ' A' ' 65' ' ' VAL . 2.0 p -152.11 155.09 37.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.919 ' HB2' ' CE ' ' A' ' 35' ' ' MET . . . -146.23 145.63 30.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.966 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -78.8 146.55 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.454 ' CA ' ' HA ' ' A' ' 181' ' ' TYR . . . -157.73 179.89 33.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.554 ' CE1' ' HD2' ' A' ' 80' ' ' PRO . 19.8 p90 -122.71 153.56 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -170.19 164.55 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.83 -16.79 57.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -94.62 -177.71 38.34 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -114.83 -29.53 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 89.5 m -49.84 124.07 15.87 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.453 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -74.96 126.64 10.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.444 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 3.9 m120 39.83 62.87 5.28 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.09 169.96 21.45 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 110.962 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.5 m -104.41 150.46 24.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.69 -45.77 70.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -35.88 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 10.4 mt-10 -69.4 -50.33 46.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.232 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -46.0 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 13.8 t -50.04 -37.88 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 p -69.84 -47.18 63.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.87 24.79 12.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -98.5 12.33 35.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 40.2 p -111.93 -34.92 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.366 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.14 -0.51 69.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.578 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 81.3 m-70 -78.67 150.27 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 0.787 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 133' ' ' GLN . . . -122.38 168.16 12.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -72.59 134.7 45.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.53 150.27 23.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.966 HG12 ' HA ' ' A' ' 70' ' ' ALA . 16.1 m -138.07 131.72 41.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -88.52 122.51 32.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.539 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.4 mp -109.02 127.04 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 HG12 ' A' ' 44' ' ' ILE . 3.6 t -104.82 113.95 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.64 ' CD2' HD11 ' A' ' 110' ' ' LEU . 22.5 p90 -134.13 165.52 24.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.45 138.84 20.32 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -10.61 21.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -90.13 -10.42 44.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.547 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.3 t -114.0 -64.32 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 100' ' ' TYR . 16.7 tt -113.96 163.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.574 1.171 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -112.72 163.59 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 145' ' ' GLN . 20.8 t80 -66.96 -45.27 78.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.53 -39.88 50.21 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -59.02 -38.81 80.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.64 HD11 ' CD2' ' A' ' 100' ' ' TYR . 77.5 mt -72.67 -52.69 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.904 HD22 ' OG ' ' A' ' 152' ' ' SER . 0.1 OUTLIER -58.47 -33.66 70.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.596 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 20.8 tt0 -63.81 -56.1 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -61.07 -32.14 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.503 ' HB3' ' O ' ' A' ' 111' ' ' LEU . 8.7 t80 -48.2 -53.66 16.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 111' ' ' LEU . 15.0 p-90 -95.52 -30.67 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.596 ' CB ' ' O ' ' A' ' 112' ' ' GLN . 33.7 tt0 -72.5 -4.47 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.57 ' HB2' HG22 ' A' ' 113' ' ' VAL . 0.7 OUTLIER -132.63 10.75 4.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' TRP . 4.9 t-160 -170.03 153.12 4.55 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.564 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 122' ' ' GLN . 1.9 p-10 -96.65 117.17 66.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.61 ' O ' HG22 ' A' ' 170' ' ' THR . 18.2 Cg_endo -75.01 -0.0 9.45 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.0 49.35 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.428 ' CB ' ' OD1' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -100.43 -12.55 19.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.07 -166.92 54.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.4 mtt -71.32 62.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -176.9 155.05 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.428 ' NE2' ' N ' ' A' ' 200' ' ' ILE . 8.9 tm0? -136.62 130.1 31.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 52.64 -117.06 6.0 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.53 11.5 34.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 14.2 m-20 -108.82 140.4 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -118.56 153.37 34.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.663 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.63 161.67 9.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.819 HG21 HD23 ' A' ' 8' ' ' LEU . 74.2 p -82.07 -1.9 50.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.373 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 93' ' ' ALA . 4.4 pt20 -92.74 -23.55 18.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 129' ' ' ASP . 29.6 m-85 -89.58 35.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.56 147.68 23.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -84.66 133.96 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -154.76 147.27 24.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.454 HG22 ' HD3' ' A' ' 140' ' ' PRO . 13.6 mt -113.8 125.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.464 ' HB2' HG22 ' A' ' 46' ' ' ILE . 49.4 m-85 -119.98 87.23 38.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 175.61 11.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.59 1.837 . . . . 0.0 111.013 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -120.48 -48.53 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.408 1.067 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.51 HG23 ' OE1' ' A' ' 145' ' ' GLN . 2.0 p -90.6 167.99 15.14 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -29.34 8.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.4 -30.33 68.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.544 ' HG2' ' CD2' ' A' ' 107' ' ' TYR . 87.9 mt-30 -71.85 -48.14 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 142' ' ' THR . 1.7 m-20 -53.16 -48.59 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.0 74.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.5 -38.88 68.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB1' HG12 ' A' ' 173' ' ' ILE . . . -57.9 -51.06 71.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -64.4 -31.4 72.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -60.64 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.904 ' OG ' HD22 ' A' ' 111' ' ' LEU . 31.5 m -56.67 -46.88 80.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 169' ' ' ILE . 5.3 tt -61.63 -50.94 70.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.27 -39.92 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.85 -47.91 27.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.556 ' CE2' ' HG3' ' A' ' 160' ' ' MET . 32.2 t80 -61.91 -33.14 73.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.536 ' HA ' HD11 ' A' ' 169' ' ' ILE . 46.9 tt0 -52.59 -37.74 58.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.614 1.196 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -79.74 -43.53 22.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.09 -42.81 77.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.556 ' HG3' ' CE2' ' A' ' 156' ' ' PHE . 8.7 mtp -56.33 -49.32 74.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.16 -36.63 84.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.28 -21.74 66.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -99.18 26.62 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.357 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.5 32.45 19.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -117.2 97.04 5.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.96 11.29 18.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.71 160.93 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -94.99 138.89 32.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.647 HD13 ' HG ' ' A' ' 153' ' ' LEU . 4.3 mt -66.29 113.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -74.35 -24.0 59.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.63 123.7 12.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -117.13 118.3 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.652 HG12 ' HB1' ' A' ' 149' ' ' ALA . 5.2 mt -92.83 120.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.47 39.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -47.96 155.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -83.18 130.1 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.521 ' CB ' ' CD ' ' A' ' 178' ' ' PRO . 0.3 OUTLIER -99.94 -176.5 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.437 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.97 56.48 4.25 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.037 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.875 ' CE1' HD11 ' A' ' 46' ' ' ILE . 23.2 p90 -61.03 150.48 33.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 0.5 OUTLIER -124.04 137.55 54.57 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 0.0 OUTLIER -76.73 152.34 35.71 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.462 ' O ' ' CE2' ' A' ' 181' ' ' TYR . . . -79.16 170.1 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.94 152.45 19.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.261 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . 0.462 ' HA ' ' CG ' ' A' ' 187' ' ' GLN . 0.8 OUTLIER -53.36 -29.92 36.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -45.86 68.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -80.31 -32.44 38.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.633 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.488 ' OE1' ' N ' ' A' ' 70' ' ' ALA . 83.8 mm-40 -49.76 135.7 18.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.531 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.4 mp0 42.24 51.52 4.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.224 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.63 ' CE2' ' CZ2' ' A' ' 53' ' ' TRP . 3.4 t80 -64.72 -49.01 72.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -23.11 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -77.16 -49.86 14.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.596 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -26.51 57.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.2 OUTLIER -136.12 96.45 12.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.17 21.4 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -109.6 13.27 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -61.62 -150.09 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 197' ' ' TYR . 3.0 p90 -137.23 133.8 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.5 p -116.58 140.63 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -93.65 -34.2 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 118' ' ' HIS . 8.8 tt -52.53 150.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 150.17 70.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.488 1.117 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.83 75.47 0.26 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 pp -121.02 157.08 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 127.16 73.09 0.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.392 1.058 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 16.1 t -133.32 117.42 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 17.3 t -55.45 124.05 15.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.57 154.28 52.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 125.86 9.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.761 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 134.37 17.7 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.09 105.47 14.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt -108.62 -45.05 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -139.49 159.88 41.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -118.3 55.73 0.89 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 8.87 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.0 -46.88 5.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.733 ' O ' ' HE1' ' A' ' 124' ' ' MET . 0.3 OUTLIER -79.5 56.26 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.55 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -151.19 129.5 12.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.6 p -37.57 143.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.63 168.84 21.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.438 1.757 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 -22.79 58.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -82.57 -40.07 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -49.56 160.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.1 112.83 11.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 55.01 3.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.14 -164.35 12.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.539 1.149 . . . . 0.0 111.061 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -166.87 144.34 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 0.783 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -98.99 169.05 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -70.2 155.83 92.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.86 35.84 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.462 1.769 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.62 152.92 37.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.4 1.063 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.91 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 t -117.13 145.57 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.55 150.38 40.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.4 m -75.78 -39.03 57.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.431 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.0 mt -128.03 -175.22 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 58.9 t-80 -86.77 168.59 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -71.5 -65.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 16.6 t -90.72 -47.47 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.4 t30 -58.28 -33.54 69.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' N ' ' HB3' ' A' ' 28' ' ' HIS . . . 58.23 14.42 18.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' HIS . 57.1 m170 -100.84 168.4 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 0.715 . . . . 0.0 109.629 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.21 119.44 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ptp -80.4 -15.45 56.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -84.96 -50.4 7.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -69.73 134.46 48.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 t -114.78 128.23 26.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 145.64 31.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.759 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.06 125.62 24.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.33 -13.73 56.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.399 1.062 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.5 tpp -86.34 152.78 22.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.737 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.28 162.54 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' NE ' ' A' ' 97' ' ' ARG . 5.8 mt -112.43 154.58 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.744 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -145.08 125.12 13.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.617 HG22 ' HD2' ' A' ' 139' ' ' TYR . 55.5 mt -110.86 130.47 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.58 1.175 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 52.0 m-85 -147.54 147.81 30.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -111.9 124.89 53.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -141.86 17.73 2.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 91.21 -140.48 15.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.45 1.094 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 55' ' ' VAL . 29.8 p -40.81 111.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.704 ' HB2' HG11 ' A' ' 96' ' ' VAL . 39.3 p90 -76.96 -5.75 49.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.987 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.802 ' CZ2' ' CD2' ' A' ' 189' ' ' TYR . 21.5 m0 -71.86 -57.42 4.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 107.933 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' ARG . . . -76.3 -34.75 44.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.584 HG12 ' CE2' ' A' ' 59' ' ' PHE . 54.8 t -66.14 -49.88 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 31.3 tt0 -71.94 -20.71 61.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.614 ' HD2' HD12 ' A' ' 190' ' ' LEU . 3.2 ttt-85 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.717 HD22 ' OD1' ' A' ' 117' ' ' ASN . 1.2 pp -73.82 -39.04 64.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CE2' HG12 ' A' ' 55' ' ' VAL . 10.4 m-30 -54.79 -52.23 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 191' ' ' HIS . 0.0 OUTLIER -58.75 -53.47 58.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 36.8 mt-30 -69.67 -2.68 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' CD2' ' CD1' ' A' ' 105' ' ' ILE . 2.1 tt -67.14 134.28 93.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 107.32 2.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 121.8 -3.07 10.92 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 48.6 t -97.51 116.33 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -73.69 -49.77 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.1 m -151.27 166.77 29.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -139.98 167.24 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.473 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.43 154.39 31.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.953 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -116.31 142.63 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 72' ' ' TYR . . . -166.99 -168.91 29.88 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 71' ' ' GLY . 23.2 m-85 -141.16 149.49 41.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' A' ' 179' ' ' PHE . 4.6 t -169.86 176.33 4.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.59 9.14 61.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.574 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -112.52 -167.08 17.32 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -113.4 -46.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.469 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 27.4 m -49.84 121.29 12.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.369 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 142.48 27.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.421 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 16.3 m120 46.36 64.36 8.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.214 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.06 169.94 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 22.0 m -124.71 157.69 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.63 -49.84 61.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -57.21 13.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.84 -46.02 67.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 81' ' ' THR . 83.9 t -66.0 -37.22 79.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.99 -39.53 63.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 108.372 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 m -67.82 -38.5 83.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.49 22.8 42.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 1.1 m-20 -100.32 9.5 42.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -100.9 -27.73 13.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.441 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' C ' ' CA ' ' A' ' 75' ' ' GLY . . . 94.53 -11.66 69.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 62.4 m-70 -79.16 147.96 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.37 171.52 7.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -76.34 114.75 15.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.252 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.94 155.61 49.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.953 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.7 m -142.43 145.41 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.424 ' HE ' HD11 ' A' ' 46' ' ' ILE . 4.6 mtt180 -94.55 125.66 39.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.577 HD11 ' HD2' ' A' ' 59' ' ' PHE . 2.8 mp -115.57 133.82 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' TYR . 46.2 t -109.97 114.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 3.0 p90 -138.9 164.52 29.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.381 1.051 . . . . 0.0 110.995 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.57 138.94 20.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -12.25 21.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.425 1.75 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 -18.88 28.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.51 HG11 ' HA2' ' A' ' 64' ' ' GLY . 52.9 t -103.04 -57.69 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 14.5 tt -120.04 161.66 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.405 1.065 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 98.4 p -111.1 158.86 18.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 13.6 p90 -65.2 -33.74 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.608 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 13.7 pt-20 -63.49 -42.52 98.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 77.1 mt-30 -57.45 -43.14 83.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.45 -49.89 71.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 12.7 mt -54.77 -48.73 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -35.02 79.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 114' ' ' PHE . 1.2 t -58.68 -37.5 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 9.4 m-85 -69.73 -46.07 66.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.714 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 5.5 m95 -69.78 -19.93 63.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 108.03 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -94.95 -9.31 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.26 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.717 ' OD1' HD22 ' A' ' 58' ' ' LEU . 11.7 m-80 -114.14 -11.99 12.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.6 OUTLIER -168.14 170.22 10.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.507 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' ALA . 0.8 OUTLIER -113.15 132.97 22.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 30.55 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' ASP . . . -139.29 50.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.534 ' NE2' ' H ' ' A' ' 122' ' ' GLN . 1.6 pm0 -98.56 -15.82 19.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.52 ' HA2' HG21 ' A' ' 170' ' ' THR . . . 78.57 -164.49 50.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.733 ' HE1' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -71.93 58.34 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 0.724 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 179.33 168.2 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.62 120.91 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.32 -123.09 22.56 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.547 1.154 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -100.58 8.71 43.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.76 132.59 51.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -116.79 135.21 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.637 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 167.01 167.23 27.39 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.566 HG23 ' HE2' ' A' ' 124' ' ' MET . 57.9 m -81.17 -6.92 59.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 0.808 . . . . 0.0 110.438 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.463 ' HG3' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm0? -92.89 -27.92 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -89.25 68.98 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.406 HH11 ' HE3' ' A' ' 124' ' ' MET . 2.7 ttp180 -125.07 -174.23 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.428 ' HB2' ' NE2' ' A' ' 122' ' ' GLN . 6.6 t -118.91 122.63 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . . . -149.23 162.31 40.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.714 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 60.9 mt -129.39 128.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.617 ' HD2' HG22 ' A' ' 46' ' ' ILE . 32.6 m-85 -117.61 83.74 18.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.663 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -74.96 168.49 24.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 20.7 mt -115.4 -31.45 5.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 56.5 p -108.43 162.1 21.14 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -21.45 15.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -32.87 60.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -71.16 -43.23 67.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 150' ' ' ARG . 0.3 OUTLIER -61.88 -40.58 95.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.97 -40.86 98.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.0 64.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.99 -54.24 41.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 146' ' ' ASP . 0.1 OUTLIER -66.36 -31.77 72.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.01 -34.77 75.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.265 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -80.07 -22.33 42.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 153' ' ' LEU . 2.9 tt -67.36 -50.57 59.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.97 -33.79 75.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.74 -48.81 80.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -74.3 -30.41 62.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.66 -41.04 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.612 1.195 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.75 37.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -69.66 -26.09 64.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -62.01 -41.26 97.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.23 -44.59 87.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.36 -17.41 63.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.24 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.81 15.61 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 1.2 t70 62.48 19.19 11.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 101.08 10.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.69 3.84 27.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 155.22 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -98.26 141.35 31.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.64 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.489 HG12 HD21 ' A' ' 153' ' ' LEU . 0.0 OUTLIER -68.39 116.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.52 HG21 ' HA2' ' A' ' 123' ' ' GLY . 38.0 p -107.17 18.74 21.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 14.3 t -89.11 149.77 23.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.1 139.87 47.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' CG2' ' OD1' ' A' ' 146' ' ' ASP . 25.4 mt -117.73 117.84 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -138.38 145.93 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -44.86 154.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.371 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -59.83 121.45 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.94 164.89 15.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.35 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.481 ' O ' ' CD1' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -108.09 150.26 27.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 111.057 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.45 ' CD1' ' O ' ' A' ' 181' ' ' TYR . 1.7 p90 -107.28 136.65 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.45 ' O ' ' CD1' ' A' ' 180' ' ' TYR . 55.7 m-85 -61.6 144.47 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.37 167.94 13.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.62 161.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.03 -34.42 64.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -22.61 35.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -102.57 -35.68 8.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.572 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.73 117.5 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.588 ' HB3' ' CD2' ' A' ' 191' ' ' HIS . 0.8 OUTLIER 58.68 47.53 12.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.802 ' CD2' ' CZ2' ' A' ' 53' ' ' TRP . 18.4 t80 -66.41 -56.02 13.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.402 1.063 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -64.3 -14.07 53.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.594 ' N ' ' ND1' ' A' ' 191' ' ' HIS . 0.1 OUTLIER -84.44 -37.09 21.85 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.622 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -76.37 -32.46 58.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.429 ' HB3' ' CE2' ' A' ' 195' ' ' TYR . 0.2 OUTLIER -128.83 96.5 29.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.422 1.748 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 193' ' ' ASN . 3.1 p90 -93.09 -4.51 52.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -59.92 -148.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.523 ' O ' HD21 ' A' ' 190' ' ' LEU . 20.5 p90 -138.95 140.18 38.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 199' ' ' GLY . 4.8 p -131.46 -49.59 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 198' ' ' CYS . . . 37.45 60.06 1.19 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.434 ' CD1' HG22 ' A' ' 55' ' ' VAL . 4.2 tt -109.57 -48.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -50.24 118.77 6.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 149.21 95.75 0.15 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.844 HD12 ' N ' ' A' ' 204' ' ' GLY . 2.7 pp -130.37 -55.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.844 ' N ' HD12 ' A' ' 203' ' ' ILE . . . 64.48 69.18 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.514 ' N ' HD12 ' A' ' 203' ' ' ILE . 71.8 t -135.72 125.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . . . . . . . . . 22.7 p -90.73 150.47 21.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.09 157.5 65.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 130.71 13.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.534 1.808 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 170.39 20.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.508 1.794 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.86 144.88 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.308 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.6 OUTLIER -99.12 15.11 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -59.89 -43.78 94.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -114.19 149.06 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.61 1.193 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -73.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -54.31 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.5 ' O ' ' HE3' ' A' ' 124' ' ' MET . 2.1 p80 -108.8 -55.95 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.783 HD12 HG12 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -148.88 170.56 18.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.783 HG12 HD12 ' A' ' 8' ' ' LEU . 8.6 p -38.55 145.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.86 170.21 10.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.23 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.439 1.757 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.25 -17.47 60.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.399 1.062 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.771 ' HB3' HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -78.97 -44.05 23.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' ASP . . . -49.28 161.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.33 112.51 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 54.52 3.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.711 ' O ' HG23 ' A' ' 77' ' ' THR . . . -139.43 -173.08 12.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -161.89 140.84 9.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 110.28 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.55 ' HB2' HG23 ' A' ' 81' ' ' THR . 2.7 m120 -101.46 168.69 9.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.4 p -72.03 159.56 85.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 143.05 28.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -95.73 151.49 38.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.5 31.38 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.7 t -111.17 151.16 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.02 152.6 43.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 27' ' ' LEU . 20.8 m -74.28 -34.71 63.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 26' ' ' THR . 11.9 mt -138.1 148.04 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' A' ' 31' ' ' ASN . 56.6 t-80 -50.79 170.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.582 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -71.83 -64.17 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' H ' ' CE1' ' A' ' 28' ' ' HIS . 2.6 t -91.6 -51.47 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HB2' ' CG ' ' A' ' 28' ' ' HIS . 1.0 OUTLIER -57.67 -23.31 50.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 39.63 29.52 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' ASN . 12.4 m170 -99.6 165.71 11.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.584 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 p -64.38 119.29 10.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -55.29 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -64.78 -53.36 48.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -69.92 140.08 53.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 44' ' ' ILE . 3.6 t -125.41 136.71 28.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.92 146.77 33.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.609 1.847 . . . . 0.0 110.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.31 122.92 17.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.68 -8.27 43.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.5 tpp -98.7 143.44 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -126.45 164.33 21.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.87 HG12 HG22 ' A' ' 99' ' ' VAL . 3.0 mt -115.33 152.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -133.06 124.49 27.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 3.3 mt -101.39 127.5 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.675 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 35.9 m-85 -150.12 155.21 39.41 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -119.36 113.57 21.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 21.92 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' CYS . . . 85.19 -141.64 19.26 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.728 ' O ' HG23 ' A' ' 55' ' ' VAL . 1.2 t -41.98 108.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.947 ' CD2' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -74.89 2.7 9.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 40.2 m0 -74.31 -53.06 10.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 107.975 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.76 -27.13 59.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 51' ' ' CYS . 34.3 t -73.04 -56.71 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 20.7 pt-20 -50.79 -51.63 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -69.0 -24.04 64.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 4.8 tp -68.61 -41.01 80.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 98' ' ' ILE . 34.0 m-85 -85.86 -33.21 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -58.54 -51.81 68.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 107.965 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -72.25 -4.04 27.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 113' ' ' VAL . 3.0 tt -83.01 137.34 43.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.544 1.812 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.73 -15.77 7.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.5 t -93.74 123.79 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -81.69 -46.34 14.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.61 167.15 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -134.64 169.82 16.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.443 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -160.02 145.73 15.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.947 ' HB1' ' CD2' ' A' ' 52' ' ' PHE . . . -108.44 149.91 28.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -172.35 -158.64 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.76 ' CE1' HG11 ' A' ' 85' ' ' VAL . 41.7 m-85 -148.27 147.83 29.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 0.743 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.5 t -170.42 164.07 8.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.448 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.42 -14.9 54.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -82.12 -157.47 20.63 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -116.93 -45.75 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.711 HG23 ' O ' ' A' ' 17' ' ' GLY . 43.4 m -55.35 118.2 17.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -75.01 133.3 16.41 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 11.9 m-20 58.54 59.0 6.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.08 167.45 26.94 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.822 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 19' ' ' ASN . 64.5 p -125.48 149.21 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -51.2 -29.69 14.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.79 -60.75 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 13.8 pt-20 -66.14 -44.88 82.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 72' ' ' TYR . 48.4 t -53.21 -39.81 36.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 24.3 t -54.76 -41.65 70.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.271 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -44.33 83.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.88 21.42 23.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 0.5 OUTLIER -98.03 26.47 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.96 -35.43 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' HA2' HD13 ' A' ' 8' ' ' LEU . . . 94.3 -2.74 68.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.58 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 87.6 m-70 -80.97 142.71 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.19 160.07 16.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 6.7 tp10 -70.03 116.17 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.401 ' N ' ' OE1' ' A' ' 94' ' ' GLU . . . -125.04 156.39 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 70' ' ' ALA . 2.0 t -139.96 135.42 37.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -94.63 114.13 26.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.469 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.1 mt -104.57 123.58 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.87 HG22 HG12 ' A' ' 44' ' ' ILE . 45.3 t -101.73 114.33 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 5.3 p90 -135.13 165.17 26.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.92 135.76 19.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.11 17.65 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.09 -20.68 22.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.72 -65.6 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.4 tt -110.0 164.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.539 1.149 . . . . 0.0 109.238 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -123.04 152.37 41.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -54.81 -41.06 70.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.643 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.5 tt0 -55.84 -41.42 74.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -66.74 -38.44 86.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 110' ' ' LEU . 19.6 mt -65.47 -50.62 64.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.658 HD13 ' HA ' ' A' ' 149' ' ' ALA . 74.4 mt -53.91 -38.39 64.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -66.0 -45.32 82.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.613 1.196 . . . . 0.0 110.331 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 62' ' ' LEU . 2.5 t -53.76 -48.21 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.675 ' CZ ' ' CG ' ' A' ' 47' ' ' PHE . 19.5 m-85 -49.78 -55.41 14.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' PRO . 7.0 m95 -66.11 -19.89 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' O ' HG21 ' A' ' 203' ' ' ILE . 2.2 tp10 -89.12 -9.07 52.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.56 ' HB3' HD11 ' A' ' 200' ' ' ILE . 1.6 m-80 -112.14 -31.37 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.4 145.05 9.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.098 . . . . 0.0 109.655 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.79 155.26 85.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 115' ' ' TRP . 18.4 Cg_endo -74.96 0.44 8.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.42 50.15 1.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 134' ' ' TYR . 12.9 pt20 -78.39 -12.85 60.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 70.06 -179.56 27.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.5 ' HE3' ' O ' ' A' ' 7' ' ' HIS . 1.8 ttm -71.96 63.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.05 170.37 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 134' ' ' TYR . 10.6 tp60 -148.55 114.32 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 61.68 -119.28 17.63 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.95 11.86 36.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.535 ' HB3' ' CE2' ' A' ' 134' ' ' TYR . 0.2 OUTLIER -111.29 131.01 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -118.02 145.44 44.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 149.98 -178.16 27.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.0 p -90.24 -3.24 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 110.392 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -92.61 -1.43 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.546 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 57.7 m-85 -121.93 47.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.96 177.77 4.75 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.07 126.51 55.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -149.64 148.51 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 47' ' ' PHE . 43.8 mt -122.0 129.67 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.418 ' CE1' ' OG1' ' A' ' 177' ' ' THR . 42.4 m-85 -128.41 87.11 56.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.516 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.5 Cg_endo -75.0 171.63 17.94 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.516 1.798 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.431 HD21 HD12 ' A' ' 46' ' ' ILE . 4.3 mm? -113.33 -32.58 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 15.3 p -104.34 162.58 19.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -28.41 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.425 1.75 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.99 -30.87 65.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 65.8 mt-30 -72.37 -41.3 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -46.81 88.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.08 86.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.65 -40.05 73.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.658 ' HA ' HD13 ' A' ' 111' ' ' LEU . . . -57.82 -51.07 71.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -69.5 -38.5 77.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -53.85 -38.52 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.403 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 11.4 p -80.44 -34.93 35.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 169' ' ' ILE . 6.7 tt -60.98 -51.96 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.66 -43.25 99.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -42.89 91.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.511 ' HA ' ' HB3' ' A' ' 159' ' ' ALA . 5.2 t80 -70.55 -29.83 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.505 ' O ' HD12 ' A' ' 161' ' ' LEU . 4.4 tt0 -54.38 -45.36 72.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -80.68 -34.01 35.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 156' ' ' PHE . . . -59.04 -56.46 21.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.487 ' HA ' HG13 ' A' ' 205' ' ' VAL . 6.1 ptt? -62.51 -35.47 79.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -59.36 -46.52 88.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.354 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -55.75 -22.74 25.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.581 1.176 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 206' ' ' CYS . . . -88.1 11.12 17.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER 80.78 -1.27 1.84 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.3 91.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.07 16.83 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.24 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.402 ' O ' ' CE ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -68.5 156.75 37.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -97.41 127.3 43.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.671 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 153' ' ' LEU . 1.8 mt -60.1 116.44 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 170' ' ' THR . 0.6 OUTLIER -91.4 15.55 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.0 m -83.09 138.71 33.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 127.55 52.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.6 mt -111.62 116.89 53.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -148.23 156.12 42.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -45.54 144.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -53.71 118.54 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.418 ' OG1' ' CE1' ' A' ' 139' ' ' TYR . 0.6 OUTLIER -86.02 168.13 20.74 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.0 72.55 4.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.512 1.796 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.0 OUTLIER -60.85 148.55 39.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.12 130.31 56.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.426 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 28.2 m-85 -59.6 138.4 57.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -88.03 168.71 12.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.42 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 8.9 mt-10 -46.16 147.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -32.96 74.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.03 -32.8 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.42 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 33.8 m-70 -85.05 -36.37 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -50.88 110.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 188' ' ' GLN . 3.8 mm-40 56.72 57.85 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 27.9 t80 -71.2 -45.06 64.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 193' ' ' ASN . 5.8 mt -67.24 -10.09 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.581 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -69.69 -31.97 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.583 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -83.41 -36.85 23.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.739 ' O ' HD23 ' A' ' 190' ' ' LEU . 0.1 OUTLIER -129.14 104.97 18.02 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -13.61 21.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -101.42 12.89 36.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -70.01 -158.29 2.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.67 144.74 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 0.754 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 6.6 p -131.07 -48.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 108.335 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 43.7 52.29 6.56 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 117' ' ' ASN . 5.0 tp -105.59 -46.19 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.573 0.807 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -41.36 121.65 2.26 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 169.24 57.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.751 ' H ' HD13 ' A' ' 203' ' ' ILE . 0.2 OUTLIER -126.49 170.06 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 130.02 78.22 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.487 HG13 ' HA ' ' A' ' 160' ' ' MET . 1.1 t -137.41 151.13 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' CYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 163' ' ' ALA . 0.1 OUTLIER -47.82 102.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 108.272 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 0.1 OUTLIER -81.23 136.53 49.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -75.04 155.57 42.73 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.4 Cg_endo -74.96 55.6 3.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -84.46 -39.96 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.965 . . . . . . . . 0 0 . 1 stop_ save_